bis(2-cyanoethyl) [(3,5-dimethoxyphenyl)-(2-phenyl-1,3-dioxolan-2-yl)methyl] phosphate

Systemtic Name: bis(2-cyanoethyl) [(3,5-dimethoxyphenyl)-(2-phenyl-1,3-dioxolan-2-yl)methyl] phosphate Openeye Name: bis(2-cyanoethyl) [(3,5-dimethoxyphenyl)-(2-phenyl-1,3-dioxolan-2-yl)methyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [(3,5-dimethoxyphenyl)-(2-phenyl-1,3-dioxolan-2-yl)methyl] ester IUPAC Name: bis(2-cyanoethyl) [(3,5-dimethoxyphenyl)-(2-phenyl-1,3-dioxolan-2-yl)methyl] phosphate Traditional Name: phosphoric acid bis(2-cyanoethyl) [(3,5-dimethoxyphenyl)-(2-phenyl-1,3-dioxolan-2-yl)methyl] ester Formula: C24H27N2O8P MolecularWeight: 502.453541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(C2(OCCO2)C3=CC=CC=C3)OP(=O)(OCCC#N)OCCC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(C2(OCCO2)C3=CC=CC=C3)OP(=O)(OCCC#N)OCCC#N)OC

InChI

InChI=1S/C24H27N2O8P/c1-28-21-16-19(17-22(18-21)29-2)23(24(30-14-15-31-24)20-8-4-3-5-9-20)34-35(27,32-12-6-10-25)33-13-7-11-26/h3-5,8-9,16-18,23H,6-7,12-15H2,1-2H3