16-methyl-2-oxidanyl-heptadecanoic acid; 2-oxidanyldodecanoic acid; 2-oxidanyloctadecanoic acid

Systemtic Name: 16-methyl-2-oxidanyl-heptadecanoic acid; 2-oxidanyldodecanoic acid; 2-oxidanyloctadecanoic acid Openeye Name: 2-hydroxydodecanoic acid; 2-hydroxy-16-methyl-heptadecanoic acid; 2-hydroxyoctadecanoic acid CAS Name: 2-hydroxydodecanoic acid; 2-hydroxy-16-methylheptadecanoic acid; 2-hydroxyoctadecanoic acid IUPAC Name: 2-hydroxydodecanoic acid; 2-hydroxy-16-methylheptadecanoic acid; 2-hydroxyoctadecanoic acid Traditional Name: 2-hydroxylauric acid; 2-hydroxy-16-methyl-heptadecanoic acid; 2-hydroxystearic acid Formula: C48H96O9 MolecularWeight: 817.27044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)O)O.CCCCCCCCCCC(C(=O)O)O.CC(C)CCCCCCCCCCCCCC(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)O)O.CCCCCCCCCCC(C(=O)O)O.CC(C)CCCCCCCCCCCCCC(C(=O)O)O

InChI

InChI=1S/2C18H36O3.C12H24O3/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(19)18(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h16-17,19H,3-15H2,1-2H3,(H,20,21);17,19H,2-16H2,1H3,(H,20,21);11,13H,2-10H2,1H3,(H,14,15)