Dihydrogen (3-((5,8-dichloro-2-hydroxy-1-naphthyl)azo)-4-hydroxybenzenesulphonamidato(2-))(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(2-)

HCID 136192514

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Basic information

CAS: 94276-70-7
Standard SMILES: NS(=O)(=O)c1ccc(O)c(N=Nc2c(O)ccc3c(Cl)ccc(Cl)c23)c1.O=[N+]([O-])c1ccc2c(N=Nc3c(O)ccc4ccccc34)c(O)cc(S(=O)(=O)O)c2c1.[Cr].[H+].[H+]
InChIKey: SESXRLZCGFOJRB-UHFFFAOYSA-P
Molecular formula: C36H26Cl2CrN6O11S2+2
Average molar mass: 905.7 g/mol
Monoisotopic mass: 903.988308

Names & identifiers

Preferred name: Dihydrogen (3-((5,8-dichloro-2-hydroxy-1-naphthyl)azo)-4-hydroxybenzenesulphonamidato(2-))(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(2-)
IUPAC: chromium;3-[(5,8-dichloro-2-hydroxynaphthalen-1-yl)diazenyl]-4-hydroxybenzenesulfonamide;hydron;3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid

Names & synonyms

EINECS 304-555-294276-70-7Dihydrogen (3-((5,8-dichloro-2-hydroxy-1-naphthyl)azo)-4-hydroxybenzenesulphonamidato(2-))(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(2-)

Database identifiers

CAS: 94276-70-7
PubChem CID: 136192514
EC Number: 304-555-2

Properties

Computed structural properties

Topological polar surface area: 307 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 16
Rotatable bonds: 1
Heavy atoms: 58
Formal charge: 2
Complexity: 1,670

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