Compound C45H32N10O21S6
4-hydroxy-7-[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-2-yl]carbamoylamino]-3-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
| Molecular Formula | C45H32N10O21S6 |
|---|---|
| Molecular Weight | 1241.2 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 557.0 A2 |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 16 |
| Exact Mass | 1240.0068 |
| Heavy Atoms | 82 |
| Complexity | 2870.0 |
Chemical Identifiers
| CAS Number | 25188-41-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | IUNAENBIEJRAKZ-UHFFFAOYSA-N |
📖 Product Overview
Compound C45H32N10O21S6 (CAS: 25188-41-4) is a chemical compound with molecular formula C45H32N10O21S6 and molecular weight 1241.2 g/mol. Its IUPAC systematic name is 4-hydroxy-7-[[5-hydroxy-7-sulfo-6-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-2-yl]carbamoylamino]-3-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid.
IUNAENBIEJRAKZ-UHFFFAOYSA-N.
SMILES: C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC(=O)NC5=CC6=CC(=C(C(=C6C=C5)O)N=NC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.
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