azanium 6-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: azanium 6-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: ammonium 3,4,5-trihydroxy-6-(2-isopropyl-5-methyl-cyclohexoxy)tetrahydropyran-2-carboxylate CAS Name: ammonium 3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxanecarboxylate IUPAC Name: azanium 3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylate Traditional Name: ammonium 3,4,5-trihydroxy-6-(2-isopropyl-5-methyl-cyclohexoxy)tetrahydropyran-2-carboxylate Formula: C16H31NO7 MolecularWeight: 349.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2C(C(C(C(O2)C(=O)[O-])O)O)O)C(C)C.[NH4+]

Isomeric SMILES

CC1CCC(C(C1)OC2C(C(C(C(O2)C(=O)[O-])O)O)O)C(C)C.[NH4+]

InChI

InChI=1S/C16H28O7.H3N/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21;/h7-14,16-19H,4-6H2,1-3H3,(H,20,21);1H3