sodium (2R,3R)-2,3-diacetyloxy-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-4-oxidanylidene-butanoate

Systemtic Name: sodium (2R,3R)-2,3-diacetyloxy-4-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-4-oxidanylidene-butanoate Openeye Name: sodium (2R,3R)-2,3-diacetoxy-4-(2-isopropyl-5-methyl-cyclohexoxy)-4-oxo-butanoate CAS Name: sodium (2R,3R)-2,3-diacetyloxy-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobutanoate IUPAC Name: sodium (2R,3R)-2,3-diacetyloxy-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobutanoate Traditional Name: sodium (2R,3R)-2,3-diacetoxy-4-(2-isopropyl-5-methyl-cyclohexoxy)-4-keto-butyrate Formula: C18H27NaO8 MolecularWeight: 394.39195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C(=O)[O-])OC(=O)C)OC(=O)C)C(C)C.[Na+]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)[C@@H]([C@H](C(=O)[O-])OC(=O)C)OC(=O)C)C(C)C.[Na+]

InChI

InChI=1S/C18H28O8.Na/c1-9(2)13-7-6-10(3)8-14(13)26-18(23)16(25-12(5)20)15(17(21)22)24-11(4)19;/h9-10,13-16H,6-8H2,1-5H3,(H,21,22);/q;+1/p-1/t10?,13?,14?,15-,16-;/m1./s1