trisodium4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
trisodium;4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate
| Molecular Formula | C31H19N4Na3O12S3 |
|---|---|
| Molecular Weight | 804.7 g/mol |
| Topological Polar Surface Area | 303.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 803.9855 |
| Heavy Atoms | 53 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 6330-95-6 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+] |
| InChIKey | BHVCANBLUPOJEY-UHFFFAOYSA-K |
📖 Product Overview
trisodium4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate (CAS: 6330-95-6) is a chemical compound with molecular formula C31H19N4Na3O12S3 and molecular weight 804.7 g/mol. Its IUPAC systematic name is trisodium;4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate.
BHVCANBLUPOJEY-UHFFFAOYSA-K.
SMILES: C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].
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