8-ethanoyl-13,13-dimethyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-13,13-dimethyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-12-hydroxy-13,13-dimethyl-heptadecanoic acid CAS Name: 8-acetyl-12-hydroxy-13,13-dimethylheptadecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-13,13-dimethylheptadecanoic acid Traditional Name: 8-acetyl-12-hydroxy-13,13-dimethyl-heptadecanoic acid Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCCC(CCCCCCC(=O)O)C(=O)C)O

Isomeric SMILES

CCCCC(C)(C)C(CCCC(CCCCCCC(=O)O)C(=O)C)O

InChI

InChI=1S/C21H40O4/c1-5-6-16-21(3,4)19(23)14-11-13-18(17(2)22)12-9-7-8-10-15-20(24)25/h18-19,23H,5-16H2,1-4H3,(H,24,25)