8-bromanyl-8-ethanoyl-2-methyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-bromanyl-8-ethanoyl-2-methyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-8-bromo-12-hydroxy-2-methyl-heptadecanoic acid CAS Name: 8-acetyl-8-bromo-12-hydroxy-2-methylheptadecanoic acid IUPAC Name: 8-acetyl-8-bromo-12-hydroxy-2-methylheptadecanoic acid Traditional Name: 8-acetyl-8-bromo-12-hydroxy-2-methyl-heptadecanoic acid Formula: C20H37BrO4 MolecularWeight: 421.40938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37BrO4/c1-4-5-7-12-18(23)13-10-15-20(21,17(3)22)14-9-6-8-11-16(2)19(24)25/h16,18,23H,4-15H2,1-3H3,(H,24,25)