[3-methoxy-1-[(4-nitrophenyl)carbonylamino]-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]-triphenyl-phosphanium

Systemtic Name: [3-methoxy-1-[(4-nitrophenyl)carbonylamino]-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]-triphenyl-phosphanium Openeye Name: [1-methoxycarbonyl-2-[(4-nitrobenzoyl)amino]-2-sulfanyl-vinyl]-triphenyl-phosphonium CAS Name: [1-mercapto-3-methoxy-1-[[(4-nitrophenyl)-oxomethyl]amino]-3-oxoprop-1-en-2-yl]-triphenylphosphonium IUPAC Name: [3-methoxy-1-[(4-nitrobenzoyl)amino]-3-oxo-1-sulfanylprop-1-en-2-yl]-triphenylphosphanium Traditional Name: [1-carbomethoxy-2-mercapto-2-[(4-nitrobenzoyl)amino]vinyl]-triphenyl-phosphonium Formula: C29H24N2O5PS+ MolecularWeight: 543.550021

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(=C(NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H23N2O5PS/c1-36-29(33)26(28(38)30-27(32)21-17-19-22(20-18-21)31(34)35)37(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3,(H-,30,32,33,38)/p+1