8-bromanyl-8-ethanoyl-2,2-dimethyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-bromanyl-8-ethanoyl-2,2-dimethyl-12-oxidanyl-heptadecanoic acid Openeye Name: 8-acetyl-8-bromo-12-hydroxy-2,2-dimethyl-heptadecanoic acid CAS Name: 8-acetyl-8-bromo-12-hydroxy-2,2-dimethylheptadecanoic acid IUPAC Name: 8-acetyl-8-bromo-12-hydroxy-2,2-dimethylheptadecanoic acid Traditional Name: 8-acetyl-8-bromo-12-hydroxy-2,2-dimethyl-heptadecanoic acid Formula: C21H39BrO4 MolecularWeight: 435.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39BrO4/c1-5-6-8-12-18(24)13-11-16-21(22,17(2)23)15-10-7-9-14-20(3,4)19(25)26/h18,24H,5-16H2,1-4H3,(H,25,26)