(1-diethoxyphosphoryl-3,7-dimethyl-oct-6-enyl) 4-chloranylbenzoate

Systemtic Name: (1-diethoxyphosphoryl-3,7-dimethyl-oct-6-enyl) 4-chloranylbenzoate Openeye Name: (1-diethoxyphosphoryl-3,7-dimethyl-oct-6-enyl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (1-diethoxyphosphoryl-3,7-dimethyloct-6-enyl) ester IUPAC Name: (1-diethoxyphosphoryl-3,7-dimethyloct-6-enyl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (1-diethoxyphosphoryl-3,7-dimethyl-oct-6-enyl) ester Formula: C21H32ClO5P MolecularWeight: 430.902541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClO5P/c1-6-25-28(24,26-7-2)20(15-17(5)10-8-9-16(3)4)27-21(23)18-11-13-19(22)14-12-18/h9,11-14,17,20H,6-8,10,15H2,1-5H3