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

Systemtic Name: methyl (3R,4S,5R)-3-dodecanoyloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-3-dodecanoyloxy-4,5-dihydroxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-4,5-dihydroxy-3-(1-oxododecoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-3-dodecanoyloxy-4,5-dihydroxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-4,5-dihydroxy-3-lauroyloxy-cyclohexene-1-carboxylic acid methyl ester Formula: C20H34O6 MolecularWeight: 370.48036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O6/c1-3-4-5-6-7-8-9-10-11-12-18(22)26-17-14-15(20(24)25-2)13-16(21)19(17)23/h14,16-17,19,21,23H,3-13H2,1-2H3/t16-,17-,19+/m1/s1