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

Systemtic Name: [3-[(E)-hexadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-heptan-2-yl] (E)-hexadec-9-enoate Openeye Name: [2-[(E)-hexadec-9-enoyl]oxy-1-(hydroxymethyl)-3-oxo-hexyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [1-hydroxy-4-oxo-3-[(E)-1-oxohexadec-9-enoxy]heptan-2-yl] ester IUPAC Name: [3-[(E)-hexadec-9-enoyl]oxy-1-hydroxy-4-oxoheptan-2-yl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [2-[(E)-hexadec-9-enoyl]oxy-3-keto-1-methylol-hexyl] ester Formula: C39H70O6 MolecularWeight: 634.9695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OC(CO)C(C(=O)CCC)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OC(CO)C(C(=O)CCC)OC(=O)CCCCCCC/C=C/CCCCCC

InChI

InChI=1S/C39H70O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-32-37(42)44-36(34-40)39(35(41)31-6-3)45-38(43)33-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h15-18,36,39-40H,4-14,19-34H2,1-3H3/b17-15+,18-16+