[(2E)-1-diethoxyphosphoryl-3,7-dimethyl-octa-2,6-dienyl] benzoate

Systemtic Name: [(2E)-1-diethoxyphosphoryl-3,7-dimethyl-octa-2,6-dienyl] benzoate Openeye Name: [(2E)-1-diethoxyphosphoryl-3,7-dimethyl-octa-2,6-dienyl] benzoate CAS Name: benzoic acid [(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl] benzoate Traditional Name: benzoic acid [(2E)-1-diethoxyphosphoryl-3,7-dimethyl-octa-2,6-dienyl] ester Formula: C21H31O5P MolecularWeight: 394.441601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31O5P/c1-6-24-27(23,25-7-2)20(16-18(5)13-11-12-17(3)4)26-21(22)19-14-9-8-10-15-19/h8-10,12,14-16,20H,6-7,11,13H2,1-5H3/b18-16+