hexadecyl (E)-5-(2-chlorophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: hexadecyl (E)-5-(2-chlorophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: hexadecyl (E)-5-(2-chlorophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(2-chlorophenyl)-3-oxo-4-pentenoic acid hexadecyl ester IUPAC Name: hexadecyl (E)-5-(2-chlorophenyl)-3-oxopent-4-enoate Traditional Name: (E)-5-(2-chlorophenyl)-3-keto-pent-4-enoic acid cetyl ester Formula: C27H41ClO3 MolecularWeight: 449.06564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(=O)C=CC1=CC=CC=C1Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(=O)/C=C/C1=CC=CC=C1Cl

InChI

InChI=1S/C27H41ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-31-27(30)23-25(29)21-20-24-18-15-16-19-26(24)28/h15-16,18-21H,2-14,17,22-23H2,1H3/b21-20+