methyl (3R,4S,5R)-3-octadecanoyloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4S,5R)-3-octadecanoyloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-4,5-dihydroxy-3-octadecanoyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4,5-dihydroxy-3-(1-oxooctadecoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-4,5-dihydroxy-3-octadecanoyloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-4,5-dihydroxy-3-stearoyloxy-cyclohexene-1-carboxylic acid methyl ester Formula: C26H46O6 MolecularWeight: 454.63984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C=C(CC(C1O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1C=C(C[C@H]([C@@H]1O)O)C(=O)OC

InChI

InChI=1S/C26H46O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)32-23-20-21(26(30)31-2)19-22(27)25(23)29/h20,22-23,25,27,29H,3-19H2,1-2H3/t22-,23-,25+/m1/s1