[3-[(E)-octadec-9-enoyl]oxy-4,4-bis(oxidanyl)butan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [3-[(E)-octadec-9-enoyl]oxy-4,4-bis(oxidanyl)butan-2-yl] (E)-octadec-9-enoate Openeye Name: [3,3-dihydroxy-1-methyl-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4,4-dihydroxy-3-[(E)-1-oxooctadec-9-enoxy]butan-2-yl] ester IUPAC Name: [4,4-dihydroxy-3-[(E)-octadec-9-enoyl]oxybutan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3,3-dihydroxy-1-methyl-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C40H74O6 MolecularWeight: 651.01196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H74O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37(41)45-36(3)39(40(43)44)46-38(42)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,36,39-40,43-44H,4-17,22-35H2,1-3H3/b20-18+,21-19+