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

Systemtic Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) undecyl carbonate Openeye Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) undecyl carbonate CAS Name: carbonic acid (1-cyano-4-phenyl-1-cyclohexa-2,5-dienyl) undecyl ester IUPAC Name: (1-cyano-4-phenylcyclohexa-2,5-dien-1-yl) undecyl carbonate Traditional Name: carbonic acid (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) undecyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3/c1-2-3-4-5-6-7-8-9-13-20-28-24(27)29-25(21-26)18-16-23(17-19-25)22-14-11-10-12-15-22/h10-12,14-19,23H,2-9,13,20H2,1H3