3-[3,3-dimethyl-2,2-bis(oxidanylidene)-1-phenyl-2-benzothiophen-1-yl]propyl-methyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-[3,3-dimethyl-2,2-bis(oxidanylidene)-1-phenyl-2-benzothiophen-1-yl]propyl-methyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-(2,2-diketo-3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl-methyl-ammonium binoxalate Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(S1(=O)=O)(CCC[NH2+]C)C3=CC=CC=C3)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(C2=CC=CC=C2C(S1(=O)=O)(CCC[NH2+]C)C3=CC=CC=C3)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H25NO2S.C2H2O4/c1-19(2)17-12-7-8-13-18(17)20(24(19,22)23,14-9-15-21-3)16-10-5-4-6-11-16;3-1(4)2(5)6/h4-8,10-13,21H,9,14-15H2,1-3H3;(H,3,4)(H,5,6)