dimethyl-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: dimethyl-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dimethyl-[2-[2-(1-naphthyl)-3-tetrahydrofuran-2-yl-propyl]sulfanylethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dimethyl-[2-[[2-(1-naphthalenyl)-3-(2-oxolanyl)propyl]thio]ethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dimethyl-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: dimethyl-[2-[[2-(1-naphthyl)-3-(tetrahydrofuryl)propyl]thio]ethyl]ammonium binoxalate Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSCC(CC1CCCO1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CCSCC(CC1CCCO1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H29NOS.C2H2O4/c1-22(2)12-14-24-16-18(15-19-9-6-13-23-19)21-11-5-8-17-7-3-4-10-20(17)21;3-1(4)2(5)6/h3-5,7-8,10-11,18-19H,6,9,12-16H2,1-2H3;(H,3,4)(H,5,6)