2-methyl-12-oxidanyl-octadecanoate

Systemtic Name: 2-methyl-12-oxidanyl-octadecanoate Openeye Name: 12-hydroxy-2-methyl-octadecanoate CAS Name: 12-hydroxy-2-methyloctadecanoate IUPAC Name: 12-hydroxy-2-methyloctadecanoate Traditional Name: 12-hydroxy-2-methyl-stearate Formula: C19H37O3- MolecularWeight: 313.49528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCC(C)C(=O)[O-])O

Isomeric SMILES

CCCCCCC(CCCCCCCCCC(C)C(=O)[O-])O

InChI

InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17(2)19(21)22/h17-18,20H,3-16H2,1-2H3,(H,21,22)/p-1