Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo- (CAS 94159-09-8) — formula C47H36N12O15S3, molecular weight 1105.1; category organic chemicals.
| CAS Number | 94159-09-8 |
|---|---|
| Molecular Formula | C47H36N12O15S3 |
| Molecular Weight | 1105.1 |
| LogP | 6.5 |
| Category | Organic Chemicals |
Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo- is a carbon-based organic compound with CAS registry number 94159-09-8 and molecular formula C47H36N12O15S3 (molecular weight 1105.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94159-09-8
Its molecular formula C47H36N12O15S3 comprises 47 C, 36 H, 12 N, 15 O, 3 S atoms.
Also known as: Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo- · 苯甲酸、 2-[[1-[4-[2-[4-[[4-[[4-[(3-羧基-4-羟基苯基)偶氮]苯基]氨基]-6-(苯基氨基)-1,3,5-三嗪-2-y] [1]氨基]-2-磺基苯基]乙烯基]-3-磺基苯基]-4，5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-磺基-
Category: organic chemicals
The CAS registry number of Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo- is 94159-09-8.
Molecular formula C47H36N12O15S3, molecular weight 1105.1.
It is also registered under: Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo-, 苯甲酸、 2-[[1-[4-[2-[4-[[4-[[4-[(3-羧基-4-羟基苯基)偶氮]苯基]氨基]-6-(苯基氨基)-1,3,5-三嗪-2-y] [1]氨基]-2-磺基苯基]乙烯基]-3-磺基苯基]-4，5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-磺基-.
Category: Organic Chemicals.
Independent reference data for Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulfo- (CAS 94159-09-8), compiled from public chemistry databases.
| CAS 号 | 94159-09-8 |
|---|---|
| PubChem CID | 136086302 |
| 分子式 | C47H36N12O15S3 |
| IUPAC 名称 | 5-[[4-[[4-anilino-6-[4-[(E)-2-[4-[4-[(2-carboxy-4-sulfophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-2-hydroxybenzoic acid |
| Molecular Weight | 1105.1 |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 26 |
| Rotatable Bond Count | 18 |
| Exact Mass | 1104.15852201 |
| Monoisotopic Mass | 1104.15852201 |
| Topological Polar Surface Area | 440 |
| Heavy Atom Count | 77 |
苯甲酸、 2-[[1-[4-[2-[4-[[4-[[4-[(3-羧基-4-羟基苯基)偶氮]苯基]氨基]-6-(苯基氨基)-1,3,5-三嗪-2-y] [1]氨基]-2-磺基苯基]乙烯基]-3-磺基苯基]-4，5-二氢-3-甲基-5-氧代-1H-吡唑-4-基]偶氮]-5-磺基- · CAS 94159-09-8 · C47H36N12O15S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.