bismuth(2+); [7-oxidaniumylidene-4-[(4-sulfophenyl)diazenyl]cyclohepta-1,3,5-trien-1-yl]oxidanium; hydroxide

Systemtic Name: bismuth(2+); [7-oxidaniumylidene-4-[(4-sulfophenyl)diazenyl]cyclohepta-1,3,5-trien-1-yl]oxidanium; hydroxide Openeye Name: bismuth(2+); [2-oxonio-5-(4-sulfophenyl)azo-cyclohepta-2,4,6-trien-1-ylidene]oxonium; hydroxide CAS Name: bismuth(2+); [2-oxonio-5-(4-sulfophenyl)azo-1-cyclohepta-2,4,6-trienylidene]oxonium; hydroxide IUPAC Name: bismuth(2+); [2-oxonio-5-[(4-sulfophenyl)diazenyl]cyclohepta-2,4,6-trien-1-ylidene]oxidanium; hydroxide Traditional Name: bismuth(2+); [2-oxonio-5-(4-sulfophenyl)azo-cyclohepta-2,4,6-trien-1-ylidene]oxonium; hydroxide Formula: C26H25BiN4O11S2+5 MolecularWeight: 842.60728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC=C(C(=[OH+])C=C2)[OH2+])S(=[OH+])(=O)[O-].C1=CC(=CC=C1N=NC2=CC=C(C(=[OH+])C=C2)[OH2+])S(=[OH+])(=O)[O-].[OH-].[Bi+2]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC=C(C(=[OH+])C=C2)[OH2+])S(=[OH+])(=O)[O-].C1=CC(=CC=C1N=NC2=CC=C(C(=[OH+])C=C2)[OH2+])S(=[OH+])(=O)[O-].[OH-].[Bi+2]

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;;+2;/p+3