octan-2-yl 4-(diethoxyphosphoryloxymethyl)benzoate

Systemtic Name: octan-2-yl 4-(diethoxyphosphoryloxymethyl)benzoate Openeye Name: 1-methylheptyl 4-(diethoxyphosphoryloxymethyl)benzoate CAS Name: 4-(diethoxyphosphoryloxymethyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(diethoxyphosphoryloxymethyl)benzoate Traditional Name: 4-(diethoxyphosphoryloxymethyl)benzoic acid 1-methylheptyl ester Formula: C20H33O6P MolecularWeight: 400.446181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)COP(=O)(OCC)OCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)COP(=O)(OCC)OCC

InChI

InChI=1S/C20H33O6P/c1-5-8-9-10-11-17(4)26-20(21)19-14-12-18(13-15-19)16-25-27(22,23-6-2)24-7-3/h12-15,17H,5-11,16H2,1-4H3