[4-oxidanylidene-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]-phenyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [4-oxidanylidene-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]-phenyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [1-methyl-3-oxo-3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl]-phenyl-ammonium CAS Name: 2-hydroxy-2-oxoacetate; [4-oxo-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-yl]-phenylammonium IUPAC Name: 2-hydroxy-2-oxoacetate; [4-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yl]-phenylazanium Traditional Name: [3-keto-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl]-phenyl-ammonium binoxalate Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C(=O)CC(C)[NH2+]C2=CC=CC=C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CCCC(C1C(=O)CC(C)[NH2+]C2=CC=CC=C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H27NO.C2H2O4/c1-14-9-8-12-19(3,4)18(14)17(21)13-15(2)20-16-10-6-5-7-11-16;3-1(4)2(5)6/h5-7,9-11,15,18,20H,8,12-13H2,1-4H3;(H,3,4)(H,5,6)