8-ethanoyl-3,3-dimethyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-3,3-dimethyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-12-hydroxy-3,3-dimethyl-heptadecanoic acid CAS Name: 8-acetyl-12-hydroxy-3,3-dimethylheptadecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-3,3-dimethylheptadecanoic acid Traditional Name: 8-acetyl-12-hydroxy-3,3-dimethyl-heptadecanoic acid Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCC(C)(C)CC(=O)O)C(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCCC(C)(C)CC(=O)O)C(=O)C)O

InChI

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