[5-acetamido-2,4-bis(ethoxycarbonyl)thiophen-3-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [5-acetamido-2,4-bis(ethoxycarbonyl)thiophen-3-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [5-acetamido-2,4-bis(ethoxycarbonyl)-3-thienyl]methyl-triphenyl-phosphonium bromide CAS Name: [5-acetamido-2,4-bis(ethoxycarbonyl)-3-thiophenyl]methyl-triphenylphosphonium bromide IUPAC Name: [5-acetamido-2,4-bis(ethoxycarbonyl)thiophen-3-yl]methyl-triphenylphosphanium bromide Traditional Name: (5-acetamido-2,4-dicarbethoxy-3-thienyl)methyl-triphenyl-phosphonium bromide Formula: C31H31BrNO5PS MolecularWeight: 640.524301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)NC(=O)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)NC(=O)C.[Br-]

InChI

InChI=1S/C31H30NO5PS.BrH/c1-4-36-30(34)27-26(28(31(35)37-5-2)39-29(27)32-22(3)33)21-38(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25;/h6-20H,4-5,21H2,1-3H3;1H