methyl 4-[3-(5-diethoxyphosphoryl-2-oxidanyl-phenyl)-3-oxidanylidene-propyl]benzoate

Systemtic Name: methyl 4-[3-(5-diethoxyphosphoryl-2-oxidanyl-phenyl)-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 4-[3-(5-diethoxyphosphoryl-2-hydroxy-phenyl)-3-oxo-propyl]benzoate CAS Name: 4-[3-(5-diethoxyphosphoryl-2-hydroxyphenyl)-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-diethoxyphosphoryl-2-hydroxyphenyl)-3-oxopropyl]benzoate Traditional Name: 4-[3-(5-diethoxyphosphoryl-2-hydroxy-phenyl)-3-keto-propyl]benzoic acid methyl ester Formula: C21H25O7P MolecularWeight: 420.392761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC(=C(C=C1)O)C(=O)CCC2=CC=C(C=C2)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C1=CC(=C(C=C1)O)C(=O)CCC2=CC=C(C=C2)C(=O)OC)OCC

InChI

InChI=1S/C21H25O7P/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/h6-7,9-11,13-14,23H,4-5,8,12H2,1-3H3