(E)-3-[(E)-octadec-9-enyl]-1-oxidanyl-henicos-12-en-2-olate

Systemtic Name: (E)-3-[(E)-octadec-9-enyl]-1-oxidanyl-henicos-12-en-2-olate Openeye Name: (E)-1-hydroxy-3-[(E)-octadec-9-enyl]henicos-12-en-2-olate CAS Name: (E)-1-hydroxy-3-[(E)-octadec-9-enyl]-12-heneicosen-2-olate IUPAC Name: (E)-1-hydroxy-3-[(E)-octadec-9-enyl]henicos-12-en-2-olate Traditional Name: (E)-1-hydroxy-3-[(E)-octadec-9-enyl]heneicos-12-en-2-olate Formula: C39H75O2- MolecularWeight: 576.0116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H75O2/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/h17-20,38-40H,3-16,21-37H2,1-2H3/q-1/b19-17+,20-18+