hexadecyl (E)-3-phenylprop-2-enoate

Systemtic Name: hexadecyl (E)-3-phenylprop-2-enoate Openeye Name: hexadecyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid hexadecyl ester IUPAC Name: hexadecyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid cetyl ester Formula: C25H40O2 MolecularWeight: 372.5839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-25(26)22-21-24-19-16-15-17-20-24/h15-17,19-22H,2-14,18,23H2,1H3/b22-21+