8-chloranyl-8-ethanoyl-16,16-dimethyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-chloranyl-8-ethanoyl-16,16-dimethyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-8-chloro-12-hydroxy-16,16-dimethyl-heptadecanoic acid CAS Name: 8-acetyl-8-chloro-12-hydroxy-16,16-dimethylheptadecanoic acid IUPAC Name: 8-acetyl-8-chloro-12-hydroxy-16,16-dimethylheptadecanoic acid Traditional Name: 8-acetyl-8-chloro-12-hydroxy-16,16-dimethyl-heptadecanoic acid Formula: C21H39ClO4 MolecularWeight: 390.98496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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