8-ethanoyl-2,2-dimethyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-ethanoyl-2,2-dimethyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-12-hydroxy-2,2-dimethyl-heptadecanoic acid CAS Name: 8-acetyl-12-hydroxy-2,2-dimethylheptadecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-2,2-dimethylheptadecanoic acid Traditional Name: 8-acetyl-12-hydroxy-2,2-dimethyl-heptadecanoic acid Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCC(C)(C)C(=O)O)C(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCC(C)(C)C(=O)O)C(=O)C)O

InChI

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