hexadecyl (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: hexadecyl (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: hexadecyl (Z)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (Z)-2-cyano-3-(4-methylphenyl)-2-propenoic acid hexadecyl ester IUPAC Name: hexadecyl (Z)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(p-tolyl)acrylic acid cetyl ester Formula: C27H41NO2 MolecularWeight: 411.61994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(C=C1)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-27(29)26(23-28)22-25-19-17-24(2)18-20-25/h17-20,22H,3-16,21H2,1-2H3/b26-22-