[3-docosanoyloxy-2-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-propyl] docosanoate

Systemtic Name: [3-docosanoyloxy-2-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-propyl] docosanoate Openeye Name: [3-docosanoyloxy-2-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-propyl] docosanoate CAS Name: docosanoic acid [2-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-3-(1-oxodocosoxy)propyl] ester IUPAC Name: [3-docosanoyloxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] docosanoate Traditional Name: behenic acid [3-docosanoyloxy-2-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxy-propyl] ester Formula: C57H100O8 MolecularWeight: 913.3991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)C=CC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)/C=C/C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C57H100O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-55(59)63-49-52(65-57(61)47-45-51-44-46-53(58)54(48-51)62-3)50-64-56(60)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h44-48,52,58H,4-43,49-50H2,1-3H3/b47-45+