methyl 4-[(E)-3-(5-diethoxyphosphoryl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(5-diethoxyphosphoryl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(5-diethoxyphosphoryl-2-hydroxy-phenyl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(5-diethoxyphosphoryl-2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(5-diethoxyphosphoryl-2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(5-diethoxyphosphoryl-2-hydroxy-phenyl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H23O7P MolecularWeight: 418.376881

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC(=C(C=C1)O)C(=O)C=CC2=CC=C(C=C2)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)OCC

InChI

InChI=1S/C21H23O7P/c1-4-27-29(25,28-5-2)17-11-13-20(23)18(14-17)19(22)12-8-15-6-9-16(10-7-15)21(24)26-3/h6-14,23H,4-5H2,1-3H3/b12-8+