1-[6-(hydroxymethyl)-12,12-dimethyl-13-oxidanyl-13-oxidanylidene-tridecyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[6-(hydroxymethyl)-12,12-dimethyl-13-oxidanyl-13-oxidanylidene-tridecyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[13-hydroxy-6-(hydroxymethyl)-12,12-dimethyl-13-oxo-tridecyl]cyclopropanecarboxylic acid CAS Name: 1-[13-hydroxy-6-(hydroxymethyl)-12,12-dimethyl-13-oxotridecyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[13-hydroxy-6-(hydroxymethyl)-12,12-dimethyl-13-oxotridecyl]cyclopropane-1-carboxylic acid Traditional Name: 1-(13-hydroxy-13-keto-12,12-dimethyl-6-methylol-tridecyl)cyclopropanecarboxylic acid Formula: C20H36O5 MolecularWeight: 356.49684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCC(CCCCCC1(CC1)C(=O)O)CO)C(=O)O

Isomeric SMILES

CC(C)(CCCCCC(CCCCCC1(CC1)C(=O)O)CO)C(=O)O

InChI

InChI=1S/C20H36O5/c1-19(2,17(22)23)11-7-3-5-9-16(15-21)10-6-4-8-12-20(13-14-20)18(24)25/h16,21H,3-15H2,1-2H3,(H,22,23)(H,24,25)