(1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) octyl carbonate

Systemtic Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) octyl carbonate Openeye Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) octyl carbonate CAS Name: carbonic acid (1-cyano-4-phenyl-1-cyclohexa-2,5-dienyl) octyl ester IUPAC Name: (1-cyano-4-phenylcyclohexa-2,5-dien-1-yl) octyl carbonate Traditional Name: carbonic acid (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) octyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)OC1(C=CC(C=C1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCCCCOC(=O)OC1(C=CC(C=C1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C22H27NO3/c1-2-3-4-5-6-10-17-25-21(24)26-22(18-23)15-13-20(14-16-22)19-11-8-7-9-12-19/h7-9,11-16,20H,2-6,10,17H2,1H3