[6,6-dimethyl-4-(phenylcarbonyloxy)oxan-3-yl]methyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [6,6-dimethyl-4-(phenylcarbonyloxy)oxan-3-yl]methyl-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (4-benzoyloxy-6,6-dimethyl-tetrahydropyran-3-yl)methyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (4-benzoyloxy-6,6-dimethyl-3-oxanyl)methyl-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (4-benzoyloxy-6,6-dimethyloxan-3-yl)methyl-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: (4-benzoyloxy-6,6-dimethyl-tetrahydropyran-3-yl)methyl-dimethyl-ammonium binoxalate Formula: C19H27NO7 MolecularWeight: 381.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(CO1)C[NH+](C)C)OC(=O)C2=CC=CC=C2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(CC(C(CO1)C[NH+](C)C)OC(=O)C2=CC=CC=C2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H25NO3.C2H2O4/c1-17(2)10-15(14(12-20-17)11-18(3)4)21-16(19)13-8-6-5-7-9-13;3-1(4)2(5)6/h5-9,14-15H,10-12H2,1-4H3;(H,3,4)(H,5,6)