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

Systemtic Name: 8-chloranyl-8-ethanoyl-13,13-dimethyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-8-chloro-12-hydroxy-13,13-dimethyl-heptadecanoic acid CAS Name: 8-acetyl-8-chloro-12-hydroxy-13,13-dimethylheptadecanoic acid IUPAC Name: 8-acetyl-8-chloro-12-hydroxy-13,13-dimethylheptadecanoic acid Traditional Name: 8-acetyl-8-chloro-12-hydroxy-13,13-dimethyl-heptadecanoic acid Formula: C21H39ClO4 MolecularWeight: 390.98496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39ClO4/c1-5-6-14-20(3,4)18(24)12-11-16-21(22,17(2)23)15-10-8-7-9-13-19(25)26/h18,24H,5-16H2,1-4H3,(H,25,26)