Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt (CAS 72139-20-9) — formula C43H31N9Na4O16S3, molecular weight 1117.9; category organic chemicals.
| CAS Number | 72139-20-9 |
|---|---|
| Molecular Formula | C43H31N9Na4O16S3 |
| Molecular Weight | 1117.9 |
| Applications | General Manufacturing Information: Benzoic acid, 2-[2-[1-[4-[2-[4-[[4-[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]amino]-1, 4-dioxo-2-buten-1-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4, 5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-[(methylamino)sulfonyl]-, sodium salt (1:4): INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzoic acid, 2-[2-[1-[4-[2-[4-[[4-[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]amino]-1, 4-dioxo-2-buten-1-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4, 5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-[(methylamino)sulfonyl]-, sodium salt (1:4): INACTIVE.
Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt is a carbon-based organic compound with CAS registry number 72139-20-9 and molecular formula C43H31N9Na4O16S3 (molecular weight 1117.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72139-20-9
Its molecular formula C43H31N9Na4O16S3 comprises 43 C, 31 H, 9 N, 4 Na, 16 O, 3 S atoms.
Also known as: Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt · 2-[[1-[4-[2-[4-[[4-[[4-[(3-羰基-4-羟基苯基)偶氮]苯基]氨基]-1,4-二氧代-2-丁烯基]氨基]-2-磺苯基]乙烯基]-3-磺苯基]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-[(甲氨基)磺酰]苯甲酸四钠盐
Category: organic chemicals
The CAS registry number of Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt is 72139-20-9.
Molecular formula C43H31N9Na4O16S3, molecular weight 1117.9.
It is also registered under: Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt, 2-[[1-[4-[2-[4-[[4-[[4-[(3-羰基-4-羟基苯基)偶氮]苯基]氨基]-1,4-二氧代-2-丁烯基]氨基]-2-磺苯基]乙烯基]-3-磺苯基]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-[(甲氨基)磺酰]苯甲酸四钠盐.
Recorded applications: General Manufacturing Information: Benzoic acid, 2-[2-[1-[4-[2-[4-[[4-[[4-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]amino]-1, 4-dioxo-2-buten-1-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4, 5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-[(methylamino)sulfonyl]-, sodium salt (1:4): INACTIVE.
Category: Organic Chemicals.
Independent reference data for Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt (CAS 72139-20-9), compiled from public chemistry databases.
| CAS 号 | 72139-20-9 |
|---|---|
| PubChem CID | 166226 |
| 分子式 | C43H31N9Na4O16S3 |
| IUPAC 名称 | tetrasodium;5-[[4-[[4-[4-[2-[4-[4-[[2-carboxylato-4-(methylsulfamoyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-2-hydroxybenzoate |
| UNII（FDA） | NS00062167 |
| Molecular Weight | 1117.9 |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 13 |
| Exact Mass | 1117.0641666 |
| Monoisotopic Mass | 1117.0641666 |
| Topological Polar Surface Area | 427 |
| Heavy Atom Count | 75 |
72139-20-9; DTXSID101341159; NS00062167
2-[[1-[4-[2-[4-[[4-[[4-[(3-羰基-4-羟基苯基)偶氮]苯基]氨基]-1,4-二氧代-2-丁烯基]氨基]-2-磺苯基]乙烯基]-3-磺苯基]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-[(甲氨基)磺酰]苯甲酸四钠盐 · CAS 72139-20-9 · C43H31N9Na4O16S3. UNII NS00062167.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.