ethanedioic acid; 4-[2-(3-methylsulfanylpropylamino)-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: ethanedioic acid; 4-[2-(3-methylsulfanylpropylamino)-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[1-hydroxy-2-(3-methylsulfanylpropylamino)ethyl]benzene-1,2-diol; oxalic acid CAS Name: 4-[1-hydroxy-2-[3-(methylthio)propylamino]ethyl]benzene-1,2-diol; oxalic acid IUPAC Name: 4-[1-hydroxy-2-(3-methylsulfanylpropylamino)ethyl]benzene-1,2-diol; oxalic acid Traditional Name: 4-[1-hydroxy-2-[3-(methylthio)propylamino]ethyl]pyrocatechol; oxalic acid Formula: C14H21NO7S MolecularWeight: 347.38404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNCC(C1=CC(=C(C=C1)O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CSCCCNCC(C1=CC(=C(C=C1)O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19NO3S.C2H2O4/c1-17-6-2-5-13-8-12(16)9-3-4-10(14)11(15)7-9;3-1(4)2(5)6/h3-4,7,12-16H,2,5-6,8H2,1H3;(H,3,4)(H,5,6)