[(E)-2-(carboxymethylsulfanyl)-1-[(4-methylphenyl)carbonylamino]ethenyl]-triphenyl-phosphanium

Systemtic Name: [(E)-2-(carboxymethylsulfanyl)-1-[(4-methylphenyl)carbonylamino]ethenyl]-triphenyl-phosphanium Openeye Name: [(E)-2-(carboxymethylsulfanyl)-1-[(4-methylbenzoyl)amino]vinyl]-triphenyl-phosphonium CAS Name: [(E)-2-(carboxymethylthio)-1-[[(4-methylphenyl)-oxomethyl]amino]ethenyl]-triphenylphosphonium IUPAC Name: [(E)-2-(carboxymethylsulfanyl)-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium Traditional Name: [(E)-2-(carboxymethylthio)-1-(p-toluoylamino)vinyl]-triphenyl-phosphonium Formula: C30H27NO3PS+ MolecularWeight: 512.579041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C\SCC(=O)O)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H26NO3PS/c1-23-17-19-24(20-18-23)30(34)31-28(21-36-22-29(32)33)35(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-21H,22H2,1H3,(H-,31,32,33,34)/p+1/b28-21+