2-(4-acetyloxy-5-methyl-2-propan-2-yl-phenoxy)ethyl-dimethyl-azanium; 2-carboxy-2-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-(4-acetyloxy-5-methyl-2-propan-2-yl-phenoxy)ethyl-dimethyl-azanium; 2-carboxy-2-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-(4-acetoxy-2-isopropyl-5-methyl-phenoxy)ethyl-dimethyl-ammonium; 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxo-butanoate CAS Name: 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylammonium; 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate IUPAC Name: 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium; 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate Traditional Name: 2-(4-acetoxy-2-isopropyl-5-methyl-phenoxy)ethyl-dimethyl-ammonium; 2-carboxy-4-hydroxy-4-keto-2-methylol-butyrate Formula: C22H33NO10 MolecularWeight: 471.49812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C16H25NO3.C6H8O7/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;7-2-6(4(10)11,5(12)13)1-3(8)9/h9-11H,7-8H2,1-6H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)