chromium(3+); 3-nitro-6-oxidanylidene-5-[(2-oxidanylidene-1H-naphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: chromium(3+); 3-nitro-6-oxidanylidene-5-[(2-oxidanylidene-1H-naphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-sulfonate Openeye Name: chromic 3-nitro-6-oxo-5-[(2-oxo-1H-naphthalen-1-yl)azo]cyclohexa-1,3-diene-1-sulfonate CAS Name: chromium(3+); 3-nitro-6-oxo-5-[(2-oxo-1H-naphthalen-1-yl)azo]-1-cyclohexa-1,3-dienesulfonate IUPAC Name: chromium(3+); 3-nitro-6-oxo-5-[(2-oxo-1H-naphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-sulfonate Traditional Name: chromic 6-keto-5-[(2-keto-1H-naphthalen-1-yl)azo]-3-nitro-cyclohexa-1,3-diene-1-sulfonate Formula: C48H30CrN9O21S3 MolecularWeight: 1216.9906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(C(=O)C=CC2=C1)N=NC3C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC=C2C(C(=O)C=CC2=C1)N=NC3C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC=C2C(C(=O)C=CC2=C1)N=NC3C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].[Cr+3]

Isomeric SMILES

C1=CC=C2C(C(=O)C=CC2=C1)N=NC3C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC=C2C(C(=O)C=CC2=C1)N=NC3C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC=C2C(C(=O)C=CC2=C1)N=NC3C=C(C=C(C3=O)S(=O)(=O)[O-])[N+](=O)[O-].[Cr+3]

InChI

InChI=1S/3C16H11N3O7S.Cr/c3*20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;/h3*1-8,12,15H,(H,24,25,26);/q;;;+3/p-3