bismuth 7-oxidanylidene-4-[(4-sulfophenyl)diazenyl]cyclohepta-1,3,5-trien-1-olate hydroxide

Systemtic Name: bismuth 7-oxidanylidene-4-[(4-sulfophenyl)diazenyl]cyclohepta-1,3,5-trien-1-olate hydroxide Openeye Name: bismuth 7-oxo-4-(4-sulfophenyl)azo-cyclohepta-1,3,5-trien-1-olate hydroxide CAS Name: bismuth 7-oxo-4-(4-sulfophenyl)azo-1-cyclohepta-1,3,5-trienolate hydroxide IUPAC Name: bismuth 7-oxo-4-[(4-sulfophenyl)diazenyl]cyclohepta-1,3,5-trien-1-olate hydroxide Traditional Name: bismuth 7-keto-4-(4-sulfophenyl)azo-cyclohepta-1,3,5-trien-1-olate hydroxide Formula: C26H19BiN4O11S2 MolecularWeight: 836.55964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC=C(C(=O)C=C2)[O-])S(=O)(=O)O.C1=CC(=CC=C1N=NC2=CC=C(C(=O)C=C2)[O-])S(=O)(=O)O.[OH-].[Bi+3]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC=C(C(=O)C=C2)[O-])S(=O)(=O)O.C1=CC(=CC=C1N=NC2=CC=C(C(=O)C=C2)[O-])S(=O)(=O)O.[OH-].[Bi+3]

InChI

InChI=1S/2C13H10N2O5S.Bi.H2O/c2*16-12-7-3-10(4-8-13(12)17)15-14-9-1-5-11(6-2-9)21(18,19)20;;/h2*1-8H,(H,16,17)(H,18,19,20);;1H2/q;;+3;/p-3