(12E,15E)-3-[(9E,12E)-octadeca-9,12-dienyl]-1-oxidanyl-henicosa-12,15-dien-2-olate

Systemtic Name: (12E,15E)-3-[(9E,12E)-octadeca-9,12-dienyl]-1-oxidanyl-henicosa-12,15-dien-2-olate Openeye Name: (12E,15E)-1-hydroxy-3-[(9E,12E)-octadeca-9,12-dienyl]henicosa-12,15-dien-2-olate CAS Name: (12E,15E)-1-hydroxy-3-[(9E,12E)-octadeca-9,12-dienyl]-2-heneicosa-12,15-dienolate IUPAC Name: (12E,15E)-1-hydroxy-3-[(9E,12E)-octadeca-9,12-dienyl]henicosa-12,15-dien-2-olate Traditional Name: (12E,15E)-1-hydroxy-3-[(9E,12E)-octadeca-9,12-dienyl]heneicosa-12,15-dien-2-olate Formula: C39H71O2- MolecularWeight: 571.97984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H71O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39(41)37-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,38-40H,3-10,15-16,21-37H2,1-2H3/q-1/b13-11+,14-12+,19-17+,20-18+