(3E)-1,2-diphenyl-3-(phenylmethylidene)-3aH-inden-7a-ylium; methanesulfonate

Systemtic Name: (3E)-1,2-diphenyl-3-(phenylmethylidene)-3aH-inden-7a-ylium; methanesulfonate Openeye Name: (3E)-3-benzylidene-1,2-diphenyl-3aH-inden-7a-ylium; methanesulfonate CAS Name: (3E)-1,2-diphenyl-3-(phenylmethylene)-3aH-inden-7a-ylium; methanesulfonate IUPAC Name: (3E)-3-benzylidene-1,2-diphenyl-3aH-inden-7a-ylium; methanesulfonate Traditional Name: (3E)-3-benzal-1,2-diphenyl-3aH-inden-7a-ylium mesylate Formula: C29H24O3S MolecularWeight: 452.56406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C=C2C3C=CC=C[C+]3C(=C2C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/2\C3C=CC=C[C+]3C(=C2C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21.CH4O3S/c1-4-12-21(13-5-1)20-26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)28(26)23-16-8-3-9-17-23;1-5(2,3)4/h1-20,24H;1H3,(H,2,3,4)/q+1;/p-1/b26-20+;