[3-(2-cyanoethyl)phenyl] (3,5-dimethylphenyl) hydrogen phosphate

Systemtic Name: [3-(2-cyanoethyl)phenyl] (3,5-dimethylphenyl) hydrogen phosphate Openeye Name: [3-(2-cyanoethyl)phenyl] (3,5-dimethylphenyl) hydrogen phosphate CAS Name: [3-(2-cyanoethyl)phenyl] (3,5-dimethylphenyl) hydrogen phosphate IUPAC Name: [3-(2-cyanoethyl)phenyl] (3,5-dimethylphenyl) hydrogen phosphate Traditional Name: [3-(2-cyanoethyl)phenyl] (3,5-dimethylphenyl) hydrogen phosphate Formula: C17H18NO4P MolecularWeight: 331.302881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)(O)OC2=CC=CC(=C2)CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)(O)OC2=CC=CC(=C2)CCC#N)C

InChI

InChI=1S/C17H18NO4P/c1-13-9-14(2)11-17(10-13)22-23(19,20)21-16-7-3-5-15(12-16)6-4-8-18/h3,5,7,9-12H,4,6H2,1-2H3,(H,19,20)