2-[(E)-hexadec-7-enyl]-20-oxidanyl-20-oxidanylidene-icosanoate

Systemtic Name: 2-[(E)-hexadec-7-enyl]-20-oxidanyl-20-oxidanylidene-icosanoate Openeye Name: 2-[(E)-hexadec-7-enyl]-20-hydroxy-20-oxo-icosanoate CAS Name: 2-[(E)-hexadec-7-enyl]-20-hydroxy-20-oxoeicosanoate IUPAC Name: 2-[(E)-hexadec-7-enyl]-20-hydroxy-20-oxoicosanoate Traditional Name: (E)-2-(18-hydroxy-18-keto-octadecyl)octadec-9-enoate Formula: C36H67O4- MolecularWeight: 563.91478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)C(=O)[O-]

InChI

InChI=1S/C36H68O4/c1-2-3-4-5-6-7-8-9-13-16-19-22-25-28-31-34(36(39)40)32-29-26-23-20-17-14-11-10-12-15-18-21-24-27-30-33-35(37)38/h9,13,34H,2-8,10-12,14-33H2,1H3,(H,37,38)(H,39,40)/p-1/b13-9+