[3-[(E)-hexadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-4-phenyl-butan-2-yl] (E)-hexadec-9-enoate

Systemtic Name: [3-[(E)-hexadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-4-phenyl-butan-2-yl] (E)-hexadec-9-enoate Openeye Name: [2-[(E)-hexadec-9-enoyl]oxy-1-(hydroxymethyl)-3-oxo-3-phenyl-propyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [1-hydroxy-4-oxo-3-[(E)-1-oxohexadec-9-enoxy]-4-phenylbutan-2-yl] ester IUPAC Name: [3-[(E)-hexadec-9-enoyl]oxy-1-hydroxy-4-oxo-4-phenylbutan-2-yl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [2-[(E)-hexadec-9-enoyl]oxy-3-keto-1-methylol-3-phenyl-propyl] ester Formula: C42H68O6 MolecularWeight: 668.98572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OC(CO)C(C(=O)C1=CC=CC=C1)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OC(CO)C(C(=O)C1=CC=CC=C1)OC(=O)CCCCCCC/C=C/CCCCCC

InChI

InChI=1S/C42H68O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-39(44)47-38(36-43)42(41(46)37-32-28-27-29-33-37)48-40(45)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,27-29,32-33,38,42-43H,3-12,17-26,30-31,34-36H2,1-2H3/b15-13+,16-14+