dimethyl (E)-2-(4-chlorophenyl)carbonyl-3-diethoxyphosphoryl-but-2-enedioate

Systemtic Name: dimethyl (E)-2-(4-chlorophenyl)carbonyl-3-diethoxyphosphoryl-but-2-enedioate Openeye Name: dimethyl (E)-2-(4-chlorobenzoyl)-3-diethoxyphosphoryl-but-2-enedioate CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-diethoxyphosphoryl-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(4-chlorobenzoyl)-3-diethoxyphosphorylbut-2-enedioate Traditional Name: (E)-2-(4-chlorobenzoyl)-3-diethoxyphosphoryl-but-2-enedioic acid dimethyl ester Formula: C17H20ClO8P MolecularWeight: 418.762661

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(C(=O)C1=CC=C(C=C1)Cl)C(=O)OC)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C(\C(=O)C1=CC=C(C=C1)Cl)/C(=O)OC)/C(=O)OC)OCC

InChI

InChI=1S/C17H20ClO8P/c1-5-25-27(22,26-6-2)15(17(21)24-4)13(16(20)23-3)14(19)11-7-9-12(18)10-8-11/h7-10H,5-6H2,1-4H3/b15-13+