(2-methyl-3-phenyl-butan-2-yl)azanium; 3,4,4-tris(oxidanyl)-2-oxidanylidene-but-3-enoate

Systemtic Name: (2-methyl-3-phenyl-butan-2-yl)azanium; 3,4,4-tris(oxidanyl)-2-oxidanylidene-but-3-enoate Openeye Name: (1,1-dimethyl-2-phenyl-propyl)ammonium; 3,4,4-trihydroxy-2-oxo-but-3-enoate CAS Name: (2-methyl-3-phenylbutan-2-yl)ammonium; 3,4,4-trihydroxy-2-oxo-3-butenoate IUPAC Name: (2-methyl-3-phenylbutan-2-yl)azanium; 3,4,4-trihydroxy-2-oxobut-3-enoate Traditional Name: (1,1-dimethyl-2-phenyl-propyl)ammonium; 3,4,4-trihydroxy-2-keto-but-3-enoate Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)(C)[NH3+].C(=C(O)O)(C(=O)C(=O)[O-])O

Isomeric SMILES

CC(C1=CC=CC=C1)C(C)(C)[NH3+].C(=C(O)O)(C(=O)C(=O)[O-])O

InChI

InChI=1S/C11H17N.C4H4O6/c1-9(11(2,3)12)10-7-5-4-6-8-10;5-1(3(7)8)2(6)4(9)10/h4-9H,12H2,1-3H3;5,7-8H,(H,9,10)