[6-(hydroxymethyl)-2-[2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] docosanoate

Systemtic Name: [6-(hydroxymethyl)-2-[2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] docosanoate Openeye Name: [4,5-dihydroxy-6-(hydroxymethyl)-2-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl] docosanoate CAS Name: docosanoic acid [4,5-dihydroxy-6-(hydroxymethyl)-2-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [4,5-dihydroxy-6-(hydroxymethyl)-2-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl] docosanoate Traditional Name: behenic acid [4,5-dihydroxy-6-methylol-2-(4,5,6-trihydroxy-2-methylol-tetrahydropyran-3-yl)oxy-tetrahydropyran-3-yl] ester Formula: C34H64O12 MolecularWeight: 664.86476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC(C(C2O)O)O)CO)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC(C(C2O)O)O)CO)CO)O)O

InChI

InChI=1S/C34H64O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(37)45-32-28(39)27(38)24(22-35)44-34(32)46-31-25(23-36)43-33(42)30(41)29(31)40/h24-25,27-36,38-42H,2-23H2,1H3