dimethyl 2-phenylsulfanyl-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate

Systemtic Name: dimethyl 2-phenylsulfanyl-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Openeye Name: dimethyl 2-phenylsulfanyl-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate CAS Name: 2-(phenylthio)-3-triphenylphosphoranylidenebutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-phenylsulfanyl-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Traditional Name: 2-(phenylthio)-3-triphenylphosphoranylidene-succinic acid dimethyl ester Formula: C30H27O4PS MolecularWeight: 514.571741

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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)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)SC4=CC=CC=C4

InChI

InChI=1S/C30H27O4PS/c1-33-29(31)27(28(30(32)34-2)36-26-21-13-6-14-22-26)35(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-5-12-20-25/h3-22,28H,1-2H3