hexadecyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate

Systemtic Name: hexadecyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate Openeye Name: hexadecyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-diacetyloxyphenyl)-2-propenoic acid hexadecyl ester IUPAC Name: hexadecyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-diacetoxyphenyl)acrylic acid cetyl ester Formula: C29H44O6 MolecularWeight: 488.65606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-29(32)21-19-26-18-20-27(34-24(2)30)28(23-26)35-25(3)31/h18-21,23H,4-17,22H2,1-3H3/b21-19+