dimethyl 2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate

Systemtic Name: dimethyl 2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Openeye Name: dimethyl 2-(2-oxo-1,3-benzoxazol-3-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate CAS Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-3-triphenylphosphoranylidenebutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-oxo-1,3-benzoxazol-3-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Traditional Name: 2-(2-keto-1,3-benzoxazol-3-yl)-3-triphenylphosphoranylidene-succinic acid dimethyl ester Formula: C31H26NO6P MolecularWeight: 539.515001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)N4C5=CC=CC=C5OC4=O

Isomeric SMILES

COC(=O)C(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)N4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C31H26NO6P/c1-36-29(33)27(32-25-20-12-13-21-26(25)38-31(32)35)28(30(34)37-2)39(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3