(12E,15E)-3-[(E)-octadec-9-enoyl]-1-oxidanyl-4-oxidanylidene-henicosa-12,15-dien-2-olate

Systemtic Name: (12E,15E)-3-[(E)-octadec-9-enoyl]-1-oxidanyl-4-oxidanylidene-henicosa-12,15-dien-2-olate Openeye Name: (12E,15E)-1-hydroxy-3-[(E)-octadec-9-enoyl]-4-oxo-henicosa-12,15-dien-2-olate CAS Name: (12E,15E)-1-hydroxy-4-oxo-3-[(E)-1-oxooctadec-9-enyl]-2-heneicosa-12,15-dienolate IUPAC Name: (12E,15E)-1-hydroxy-3-[(E)-octadec-9-enoyl]-4-oxohenicosa-12,15-dien-2-olate Traditional Name: (12E,15E)-1-hydroxy-4-keto-3-[(E)-octadec-9-enoyl]heneicosa-12,15-dien-2-olate Formula: C39H69O4- MolecularWeight: 601.96276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(CO)[O-])C(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(CO)[O-])C(=O)CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C39H69O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(41)39(38(43)35-40)37(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,38-40H,3-10,12,14-16,21-35H2,1-2H3/q-1/b13-11+,19-17+,20-18+