C38H30N10O9S
(3Z)-3-[[4-[4-[(2E)-2-[6-amino-5-(2H-benzotriazol-4-yldiazenyl)-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-methyl-6-oxocyclohexa-1,4-diene-1-carboxylic acid
Also Known As: EINECS 285-723-1|5-((4'-((6-Amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-4-methylbenzoic acid|5-[[4'-[[6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-4-methylbenzoic acid
| Molecular Formula | C38H30N10O9S |
|---|---|
| Molecular Weight | 802.1918 g/mol |
| LogP | 5.8407 |
| Topological Polar Surface Area | 285.36 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 802.1918 |
| Monoisotopic Mass | 802.1918 |
| Heavy Atoms | 58 |
| Complexity | 2891.9292 |
Chemical Identifiers
| CAS Number | 85136-01-2 |
|---|---|
| SMILES | CC\1=CC(=O)C(=C/C1=N/NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N/N=C\4/C(=CC5=C(C4=O)C=CC(=C5N=NC6=CC=CC7=NNN=C76)N)S(=O)(=O)O)OC)OC)C(=O)O |
Product Overview
C38H30N10O9S (CAS 85136-01-2), with molecular formula C38H30N10O9S and molecular weight 802.1918 g/mol. IUPAC: (3Z)-3-[[4-[4-[(2E)-2-[6-amino-5-(2H-benzotriazol-4-yldiazenyl)-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-methyl-6-oxocyclohexa-1,4-diene-1-carboxylic acid.