bismuth (7-oxidaniumylidene-4-phenyldiazenyl-cyclohepta-1,3,5-trien-1-yl)oxidanium

Systemtic Name: bismuth (7-oxidaniumylidene-4-phenyldiazenyl-cyclohepta-1,3,5-trien-1-yl)oxidanium Openeye Name: bismuth (2-oxonio-5-phenylazo-cyclohepta-2,4,6-trien-1-ylidene)oxonium CAS Name: bismuth (2-oxonio-5-phenyldiazenyl-1-cyclohepta-2,4,6-trienylidene)oxonium IUPAC Name: bismuth (2-oxonio-5-phenyldiazenylcyclohepta-2,4,6-trien-1-ylidene)oxidanium Traditional Name: bismuth (2-oxonio-5-phenylazo-cyclohepta-2,4,6-trien-1-ylidene)oxonium Formula: C39H36BiN6O6+9 MolecularWeight: 893.72012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C(=[OH+])C=C2)[OH2+].C1=CC=C(C=C1)N=NC2=CC=C(C(=[OH+])C=C2)[OH2+].C1=CC=C(C=C1)N=NC2=CC=C(C(=[OH+])C=C2)[OH2+].[Bi+3]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C(=[OH+])C=C2)[OH2+].C1=CC=C(C=C1)N=NC2=CC=C(C(=[OH+])C=C2)[OH2+].C1=CC=C(C=C1)N=NC2=CC=C(C(=[OH+])C=C2)[OH2+].[Bi+3]

InChI

InChI=1S/3C13H10N2O2.Bi/c3*16-12-8-6-11(7-9-13(12)17)15-14-10-4-2-1-3-5-10;/h3*1-9H,(H,16,17);/q;;;+3/p+6