3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-oxidanyl-4-oxidanylidene-3-tetradecanoyl-heptadecan-2-olate

Systemtic Name: 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-oxidanyl-4-oxidanylidene-3-tetradecanoyl-heptadecan-2-olate Openeye Name: 1-hydroxy-4-oxo-3-tetradecanoyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]heptadecan-2-olate CAS Name: 1-hydroxy-4-oxo-3-(1-oxotetradecyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-heptadecanolate IUPAC Name: 1-hydroxy-4-oxo-3-tetradecanoyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptadecan-2-olate Traditional Name: 1-hydroxy-4-keto-3-tetradecanoyl-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)heptadecan-2-olate Formula: C37H69O9- MolecularWeight: 657.93836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C1C(C(C(C(O1)CO)O)O)O)(C(CO)[O-])C(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C1C(C(C(C(O1)CO)O)O)O)(C(CO)[O-])C(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C37H69O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(40)37(32(42)28-39,36-35(45)34(44)33(43)29(27-38)46-36)31(41)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32-36,38-39,43-45H,3-28H2,1-2H3/q-1