(E)-2-methyl-2-oxidanyl-3-oxidanylidene-icos-11-enoic acid

Systemtic Name: (E)-2-methyl-2-oxidanyl-3-oxidanylidene-icos-11-enoic acid Openeye Name: (E)-2-hydroxy-2-methyl-3-oxo-icos-11-enoic acid CAS Name: (E)-2-hydroxy-2-methyl-3-oxo-11-eicosenoic acid IUPAC Name: (E)-2-hydroxy-2-methyl-3-oxoicos-11-enoic acid Traditional Name: (E)-2-hydroxy-3-keto-2-methyl-eicos-11-enoic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C)(C(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C)(C(=O)O)O

InChI

InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)21(2,25)20(23)24/h10-11,25H,3-9,12-18H2,1-2H3,(H,23,24)/b11-10+