dodecyl (Z)-2-cyano-3-phenyl-but-2-enoate

Systemtic Name: dodecyl (Z)-2-cyano-3-phenyl-but-2-enoate Openeye Name: dodecyl (Z)-2-cyano-3-phenyl-but-2-enoate CAS Name: (Z)-2-cyano-3-phenyl-2-butenoic acid dodecyl ester IUPAC Name: dodecyl (Z)-2-cyano-3-phenylbut-2-enoate Traditional Name: (Z)-2-cyano-3-phenyl-but-2-enoic acid lauryl ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(=C(C)C1=CC=CC=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)/C(=C(/C)\C1=CC=CC=C1)/C#N

InChI

InChI=1S/C23H33NO2/c1-3-4-5-6-7-8-9-10-11-15-18-26-23(25)22(19-24)20(2)21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18H2,1-2H3/b22-20-