[2-[[4-(4-chlorophenyl)sulfanylphenyl]-methyl-amino]-2-oxidanylidene-ethyl]-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [2-[[4-(4-chlorophenyl)sulfanylphenyl]-methyl-amino]-2-oxidanylidene-ethyl]-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [2-[4-(4-chlorophenyl)sulfanyl-N-methyl-anilino]-2-oxo-ethyl]-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [2-[4-[(4-chlorophenyl)thio]-N-methylanilino]-2-oxoethyl]-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [2-[4-(4-chlorophenyl)sulfanyl-N-methylanilino]-2-oxoethyl]-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-[4-[(4-chlorophenyl)thio]-N-methyl-anilino]-2-keto-ethyl]-diethyl-ammonium binoxalate Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=C(C=C2)Cl.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CC(=O)N(C)C1=CC=C(C=C1)SC2=CC=C(C=C2)Cl.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H23ClN2OS.C2H2O4/c1-4-22(5-2)14-19(23)21(3)16-8-12-18(13-9-16)24-17-10-6-15(20)7-11-17;3-1(4)2(5)6/h6-13H,4-5,14H2,1-3H3;(H,3,4)(H,5,6)