[3-methoxy-2-[(3-methylphenyl)carbonylamino]-3-oxidanylidene-1-sulfanyl-prop-1-enyl]-triphenyl-phosphanium

Systemtic Name: [3-methoxy-2-[(3-methylphenyl)carbonylamino]-3-oxidanylidene-1-sulfanyl-prop-1-enyl]-triphenyl-phosphanium Openeye Name: [3-methoxy-2-[(3-methylbenzoyl)amino]-3-oxo-1-sulfanyl-prop-1-enyl]-triphenyl-phosphonium CAS Name: [1-mercapto-3-methoxy-2-[[(3-methylphenyl)-oxomethyl]amino]-3-oxoprop-1-enyl]-triphenylphosphonium IUPAC Name: [3-methoxy-2-[(3-methylbenzoyl)amino]-3-oxo-1-sulfanylprop-1-enyl]-triphenylphosphanium Traditional Name: [3-keto-1-mercapto-3-methoxy-2-(m-toluoylamino)prop-1-enyl]-triphenyl-phosphonium Formula: C30H27NO3PS+ MolecularWeight: 512.579041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=C([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=C([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S)C(=O)OC

InChI

InChI=1S/C30H26NO3PS/c1-22-13-12-14-23(21-22)28(32)31-27(29(33)34-2)30(36)35(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-21H,1-2H3,(H-,31,32,33,36)/p+1