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

Systemtic Name: 3-hexadecanoyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-oxidanyl-4-oxidanylidene-nonadecan-2-olate Openeye Name: 3-hexadecanoyl-1-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]nonadecan-2-olate CAS Name: 1-hydroxy-4-oxo-3-(1-oxohexadecyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-nonadecanolate IUPAC Name: 3-hexadecanoyl-1-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-2-olate Traditional Name: 3-hexadecanoyl-1-hydroxy-4-keto-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)nonadecan-2-olate Formula: C41H77O9- MolecularWeight: 714.04468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C1C(C(C(C(O1)CO)O)O)O)(C(CO)[O-])C(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C1C(C(C(C(O1)CO)O)O)O)(C(CO)[O-])C(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H77O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(44)41(36(46)32-43,40-39(49)38(48)37(47)33(31-42)50-40)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-40,42-43,47-49H,3-32H2,1-2H3/q-1