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

Systemtic Name: [3-[(E)-hexadec-9-enoyl]oxy-1-oxidanyl-4-oxidanylidene-pentan-2-yl] (E)-hexadec-9-enoate Openeye Name: [2-[(E)-hexadec-9-enoyl]oxy-1-(hydroxymethyl)-3-oxo-butyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [1-hydroxy-4-oxo-3-[(E)-1-oxohexadec-9-enoxy]pentan-2-yl] ester IUPAC Name: [3-[(E)-hexadec-9-enoyl]oxy-1-hydroxy-4-oxopentan-2-yl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [2-[(E)-hexadec-9-enoyl]oxy-3-keto-1-methylol-butyl] ester Formula: C37H66O6 MolecularWeight: 606.91634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H66O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35(40)42-34(32-38)37(33(3)39)43-36(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h14-17,34,37-38H,4-13,18-32H2,1-3H3/b16-14+,17-15+