Compound C41H28N7Na3O12S3
trisodium;7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate
| Molecular Formula | C41H28N7Na3O12S3 |
|---|---|
| Molecular Weight | 975.9 g/mol |
| Topological Polar Surface Area | 351.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 975.0651 |
| Heavy Atoms | 66 |
| Complexity | 1970.0 |
Chemical Identifiers
| CAS Number | 6104-56-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)C5=CC=C(C=C5)N)S(=O)(=O)[O-])N=NC6=CC7=C(C=C(C=C7C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | DZSJSWXRTVFCNO-UHFFFAOYSA-K |
📖 Product Overview
Compound C41H28N7Na3O12S3 (CAS: 6104-56-9) is a chemical compound with molecular formula C41H28N7Na3O12S3 and molecular weight 975.9 g/mol. Its IUPAC systematic name is trisodium;7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate.
DZSJSWXRTVFCNO-UHFFFAOYSA-K.
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)C5=CC=C(C=C5)N)S(=O)(=O)[O-])N=NC6=CC7=C(C=C(C=C7C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].
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