ethanedioic acid; 1-(2-octylsulfanyloctyl)imidazole

Systemtic Name: ethanedioic acid; 1-(2-octylsulfanyloctyl)imidazole Openeye Name: 1-(2-octylsulfanyloctyl)imidazole; oxalic acid CAS Name: 1-[2-(octylthio)octyl]imidazole; oxalic acid IUPAC Name: 1-(2-octylsulfanyloctyl)imidazole; oxalic acid Traditional Name: 1-[2-(octylthio)octyl]imidazole; oxalic acid Formula: C21H38N2O4S MolecularWeight: 414.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CCCCCC)CN1C=CN=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCSC(CCCCCC)CN1C=CN=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H36N2S.C2H2O4/c1-3-5-7-9-10-12-16-22-19(13-11-8-6-4-2)17-21-15-14-20-18-21;3-1(4)2(5)6/h14-15,18-19H,3-13,16-17H2,1-2H3;(H,3,4)(H,5,6)