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

Systemtic Name: [3-[(E)-hexadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-hexan-2-yl] (E)-hexadec-9-enoate Openeye Name: [2-[(E)-hexadec-9-enoyl]oxy-1-(hydroxymethyl)-3-oxo-pentyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [1-hydroxy-4-oxo-3-[(E)-1-oxohexadec-9-enoxy]hexan-2-yl] ester IUPAC Name: [3-[(E)-hexadec-9-enoyl]oxy-1-hydroxy-4-oxohexan-2-yl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [2-[(E)-hexadec-9-enoyl]oxy-3-keto-1-methylol-pentyl] ester Formula: C38H68O6 MolecularWeight: 620.94292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H68O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(41)43-35(33-39)38(34(40)6-3)44-37(42)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h15-18,35,38-39H,4-14,19-33H2,1-3H3/b17-15+,18-16+