12-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-5-oxidanyl-3-oxidanylidene-2-(1-oxidanyloctyl)dodecanoic acid

Systemtic Name: 12-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-5-oxidanyl-3-oxidanylidene-2-(1-oxidanyloctyl)dodecanoic acid Openeye Name: 5-hydroxy-2-(1-hydroxyoctyl)-3-oxo-12-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)dodecanoic acid CAS Name: 5-hydroxy-2-(1-hydroxyoctyl)-3-oxo-12-(3,4,5-trihydroxy-6-methyl-2-oxanyl)dodecanoic acid IUPAC Name: 5-hydroxy-2-(1-hydroxyoctyl)-3-oxo-12-(3,4,5-trihydroxy-6-methyloxan-2-yl)dodecanoic acid Traditional Name: 5-hydroxy-2-(1-hydroxyoctyl)-3-keto-12-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)lauric acid Formula: C26H48O9 MolecularWeight: 504.65392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C(=O)CC(CCCCCCCC1C(C(C(C(O1)C)O)O)O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCC(C(C(=O)CC(CCCCCCCC1C(C(C(C(O1)C)O)O)O)O)C(=O)O)O

InChI

InChI=1S/C26H48O9/c1-3-4-5-7-11-14-19(28)22(26(33)34)20(29)16-18(27)13-10-8-6-9-12-15-21-24(31)25(32)23(30)17(2)35-21/h17-19,21-25,27-28,30-32H,3-16H2,1-2H3,(H,33,34)