8-chloranyl-8-ethanoyl-12-methyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-chloranyl-8-ethanoyl-12-methyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-8-chloro-12-hydroxy-12-methyl-heptadecanoic acid CAS Name: 8-acetyl-8-chloro-12-hydroxy-12-methylheptadecanoic acid IUPAC Name: 8-acetyl-8-chloro-12-hydroxy-12-methylheptadecanoic acid Traditional Name: 8-acetyl-8-chloro-12-hydroxy-12-methyl-heptadecanoic acid Formula: C20H37ClO4 MolecularWeight: 376.95838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37ClO4/c1-4-5-9-13-19(3,25)14-11-16-20(21,17(2)22)15-10-7-6-8-12-18(23)24/h25H,4-16H2,1-3H3,(H,23,24)