[[2-[azanyl(diphenylazaniumylidene)methyl]sulfanyl-1-triphenylphosphaniumyl-ethenyl]amino]-phenyl-methanolate chloride

Systemtic Name: [[2-[azanyl(diphenylazaniumylidene)methyl]sulfanyl-1-triphenylphosphaniumyl-ethenyl]amino]-phenyl-methanolate chloride Openeye Name: [[2-[amino(diphenyliminio)methyl]sulfanyl-1-triphenylphosphaniumyl-vinyl]amino]-phenyl-methanolate chloride CAS Name: [[2-[[amino(diphenyliminio)methyl]thio]-1-triphenylphosphiniumylethenyl]amino]-phenylmethanolate chloride IUPAC Name: [[2-[amino(diphenylazaniumylidene)methyl]sulfanyl-1-triphenylphosphaniumylethenyl]amino]-phenylmethanolate chloride Traditional Name: [[2-[[amino(diphenyliminio)methyl]thio]-1-triphenylphosphiniumyl-vinyl]amino]-phenyl-methanolate chloride Formula: C40H35ClN3OPS MolecularWeight: 672.217161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC(=CSC(=[N+](C2=CC=CC=C2)C3=CC=CC=C3)N)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(NC(=CSC(=[N+](C2=CC=CC=C2)C3=CC=CC=C3)N)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)[O-].[Cl-]

InChI

InChI=1S/C40H34N3OPS.ClH/c41-40(43(33-21-9-2-10-22-33)34-23-11-3-12-24-34)46-31-38(42-39(44)32-19-7-1-8-20-32)45(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37;/h1-31,39,41-42H;1H