2,2,3,3,4,4-hexakis(oxidanyl)octadecanoate; 16-methylheptadecanoic acid

Systemtic Name: 2,2,3,3,4,4-hexakis(oxidanyl)octadecanoate; 16-methylheptadecanoic acid Openeye Name: 2,2,3,3,4,4-hexahydroxyoctadecanoate; 16-methylheptadecanoic acid CAS Name: 2,2,3,3,4,4-hexahydroxyoctadecanoate; 16-methylheptadecanoic acid IUPAC Name: 2,2,3,3,4,4-hexahydroxyoctadecanoate; 16-methylheptadecanoic acid Traditional Name: 2,2,3,3,4,4-hexahydroxystearate; 16-methylheptadecanoic acid Formula: C36H71O10- MolecularWeight: 663.94294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(C(=O)[O-])(O)O)(O)O)(O)O.CC(C)CCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C(C(=O)[O-])(O)O)(O)O)(O)O.CC(C)CCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C18H36O8.C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21,22)18(25,26)17(23,24)15(19)20;1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h21-26H,2-14H2,1H3,(H,19,20);17H,3-16H2,1-2H3,(H,19,20)/p-1