16-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxyhexadecanoic acid

Systemtic Name: 16-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxyhexadecanoic acid Openeye Name: 16-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxyhexadecanoic acid CAS Name: 16-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]hexadecanoic acid IUPAC Name: 16-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexadecanoic acid Traditional Name: 16-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxypalmitic acid Formula: C26H40O6 MolecularWeight: 448.5922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCCCCCCCCCCCCCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C26H40O6/c1-31-24-21-22(16-18-23(24)27)17-19-26(30)32-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+