hexadecyl (Z)-3-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: hexadecyl (Z)-3-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: hexadecyl (Z)-3-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (Z)-3-cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid hexadecyl ester IUPAC Name: hexadecyl (Z)-3-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (Z)-3-cyano-3-(3,4-dimethoxyphenyl)acrylic acid cetyl ester Formula: C28H43NO4 MolecularWeight: 457.64532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-28(30)22-25(23-29)24-18-19-26(31-2)27(21-24)32-3/h18-19,21-22H,4-17,20H2,1-3H3/b25-22+