8-bromanyl-8-ethanoyl-3-methyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-bromanyl-8-ethanoyl-3-methyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-8-bromo-12-hydroxy-3-methyl-heptadecanoic acid CAS Name: 8-acetyl-8-bromo-12-hydroxy-3-methylheptadecanoic acid IUPAC Name: 8-acetyl-8-bromo-12-hydroxy-3-methylheptadecanoic acid Traditional Name: 8-acetyl-8-bromo-12-hydroxy-3-methyl-heptadecanoic acid Formula: C20H37BrO4 MolecularWeight: 421.40938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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