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

Systemtic Name: methyl (3R,4S,5R)-4-dodecanoyloxy-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-4-dodecanoyloxy-3,5-dihydroxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-3,5-dihydroxy-4-(1-oxododecoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-4-dodecanoyloxy-3,5-dihydroxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3,5-dihydroxy-4-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(CC(=CC1O)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H34O6/c1-3-4-5-6-7-8-9-10-11-12-18(23)26-19-16(21)13-15(14-17(19)22)20(24)25-2/h13,16-17,19,21-22H,3-12,14H2,1-2H3/t16-,17-,19-/m1/s1