(E)-2-methyl-12-oxidanyl-19-oxidanylidene-icos-9-enoic acid

Systemtic Name: (E)-2-methyl-12-oxidanyl-19-oxidanylidene-icos-9-enoic acid Openeye Name: (E)-12-hydroxy-2-methyl-19-oxo-icos-9-enoic acid CAS Name: (E)-12-hydroxy-2-methyl-19-oxo-9-eicosenoic acid IUPAC Name: (E)-12-hydroxy-2-methyl-19-oxoicos-9-enoic acid Traditional Name: (E)-12-hydroxy-19-keto-2-methyl-eicos-9-enoic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCC=CCC(CCCCCCC(=O)C)O)C(=O)O

Isomeric SMILES

CC(CCCCCC/C=C/CC(CCCCCCC(=O)C)O)C(=O)O

InChI

InChI=1S/C21H38O4/c1-18(21(24)25)14-10-6-4-3-5-7-12-16-20(23)17-13-9-8-11-15-19(2)22/h7,12,18,20,23H,3-6,8-11,13-17H2,1-2H3,(H,24,25)/b12-7+