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

Systemtic Name: 3-dodecanoyl-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-oxidanyl-4-oxidanylidene-pentadecan-2-olate Openeye Name: 3-dodecanoyl-1-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pentadecan-2-olate CAS Name: 1-hydroxy-4-oxo-3-(1-oxododecyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-pentadecanolate IUPAC Name: 3-dodecanoyl-1-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentadecan-2-olate Traditional Name: 1-hydroxy-4-keto-3-lauroyl-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)pentadecan-2-olate Formula: C33H61O9- MolecularWeight: 601.83204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C1C(C(C(C(O1)CO)O)O)O)(C(CO)[O-])C(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C1C(C(C(C(O1)CO)O)O)O)(C(CO)[O-])C(=O)CCCCCCCCCCC

InChI

InChI=1S/C33H61O9/c1-3-5-7-9-11-13-15-17-19-21-26(36)33(28(38)24-35,32-31(41)30(40)29(39)25(23-34)42-32)27(37)22-20-18-16-14-12-10-8-6-4-2/h25,28-32,34-35,39-41H,3-24H2,1-2H3/q-1