hexadecyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: hexadecyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: hexadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid hexadecyl ester IUPAC Name: hexadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid cetyl ester Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-25(28)19-17-22-16-18-23(26)24(27)21-22/h16-19,21,26-27H,2-15,20H2,1H3/b19-17+