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

Systemtic Name: (E)-2,2-dimethyl-12-oxidanyl-19-oxidanylidene-icos-9-enoic acid Openeye Name: (E)-12-hydroxy-2,2-dimethyl-19-oxo-icos-9-enoic acid CAS Name: (E)-12-hydroxy-2,2-dimethyl-19-oxo-9-eicosenoic acid IUPAC Name: (E)-12-hydroxy-2,2-dimethyl-19-oxoicos-9-enoic acid Traditional Name: (E)-12-hydroxy-19-keto-2,2-dimethyl-eicos-9-enoic acid Formula: C22H40O4 MolecularWeight: 368.5506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCC(CC=CCCCCCCC(C)(C)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H40O4/c1-19(23)15-11-8-9-13-17-20(24)16-12-7-5-4-6-10-14-18-22(2,3)21(25)26/h7,12,20,24H,4-6,8-11,13-18H2,1-3H3,(H,25,26)/b12-7+