2-(2-methylphenyl)propan-2-ylazanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-(2-methylphenyl)propan-2-ylazanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: [1-methyl-1-(o-tolyl)ethyl]ammonium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-(2-methylphenyl)propan-2-ylammonium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-(2-methylphenyl)propan-2-ylazanium Traditional Name: [1-methyl-1-(o-tolyl)ethyl]ammonium citrate Formula: C16H21NO7-2 MolecularWeight: 339.34044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)(C)[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1C(C)(C)[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C10H15N.C6H8O7/c1-8-6-4-5-7-9(8)10(2,3)11;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7H,11H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2