octadecanoic acid; 12-oxidanyloctadecanoic acid

Systemtic Name: octadecanoic acid; 12-oxidanyloctadecanoic acid Openeye Name: 12-hydroxyoctadecanoic acid; stearic acid CAS Name: 12-hydroxyoctadecanoic acid; octadecanoic acid IUPAC Name: 12-hydroxyoctadecanoic acid; octadecanoic acid Traditional Name: 12-hydroxystearic acid; stearic acid Formula: C36H72O5 MolecularWeight: 584.95388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C18H36O3.C18H36O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h17,19H,2-16H2,1H3,(H,20,21);2-17H2,1H3,(H,19,20)