6-[3-octadecanoyloxy-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexoxy]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[3-octadecanoyloxy-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexoxy]-6-oxidanylidene-hexanoic acid Openeye Name: 6-oxo-6-(4,5,6-trihydroxy-3-octadecanoyloxy-2-oxo-hexoxy)hexanoic acid CAS Name: 6-oxo-6-[4,5,6-trihydroxy-2-oxo-3-(1-oxooctadecoxy)hexoxy]hexanoic acid IUPAC Name: 6-oxo-6-(4,5,6-trihydroxy-3-octadecanoyloxy-2-oxohexoxy)hexanoic acid Traditional Name: 6-keto-6-(4,5,6-trihydroxy-2-keto-3-stearoyloxy-hexoxy)hexanoic acid Formula: C30H54O10 MolecularWeight: 574.74376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C(C(CO)O)O)C(=O)COC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C(C(CO)O)O)C(=O)COC(=O)CCCCC(=O)O

InChI

InChI=1S/C30H54O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(37)40-30(29(38)24(32)22-31)25(33)23-39-27(36)20-18-17-19-26(34)35/h24,29-32,38H,2-23H2,1H3,(H,34,35)