6-(dodecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-olate; propane-1,2-diol

Systemtic Name: 6-(dodecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-olate; propane-1,2-diol Openeye Name: 6-(dodecanoyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-olate; propane-1,2-diol CAS Name: propane-1,2-diol; 3,4,5-trihydroxy-6-(1-oxododecoxymethyl)-2-oxanolate IUPAC Name: 6-(dodecanoyloxymethyl)-3,4,5-trihydroxyoxan-2-olate; propane-1,2-diol Traditional Name: propane-1,2-diol; 3,4,5-trihydroxy-6-(lauroyloxymethyl)tetrahydropyran-2-olate Formula: C21H41O9- MolecularWeight: 437.54484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)[O-])O)O)O.CC(CO)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)[O-])O)O)O.CC(CO)O

InChI

InChI=1S/C18H33O7.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-14(19)24-12-13-15(20)16(21)17(22)18(23)25-13;1-3(5)2-4/h13,15-18,20-22H,2-12H2,1H3;3-5H,2H2,1H3/q-1;