18-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]octadecanoic acid

Systemtic Name: 18-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]octadecanoic acid Openeye Name: 18-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]octadecanoic acid CAS Name: 18-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]octadecanoic acid IUPAC Name: 18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanoic acid Traditional Name: 18-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)stearic acid Formula: C24H46O7 MolecularWeight: 446.61784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC1C(C(C(C(O1)CO)O)O)O)CCCCCCCCC(=O)O

Isomeric SMILES

C(CCCCCCCCC1C(C(C(C(O1)CO)O)O)O)CCCCCCCCC(=O)O

InChI

InChI=1S/C24H46O7/c25-18-20-23(29)24(30)22(28)19(31-20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21(26)27/h19-20,22-25,28-30H,1-18H2,(H,26,27)