ethanedioic acid; 1-(3-hexylsulfanyl-2-octoxy-propyl)imidazole

Systemtic Name: ethanedioic acid; 1-(3-hexylsulfanyl-2-octoxy-propyl)imidazole Openeye Name: 1-(3-hexylsulfanyl-2-octoxy-propyl)imidazole; oxalic acid CAS Name: 1-[3-(hexylthio)-2-octoxypropyl]imidazole; oxalic acid IUPAC Name: 1-(3-hexylsulfanyl-2-octoxypropyl)imidazole; oxalic acid Traditional Name: 1-[3-(hexylthio)-2-octoxy-propyl]imidazole; oxalic acid Formula: C22H40N2O5S MolecularWeight: 444.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(CN1C=CN=C1)CSCCCCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOC(CN1C=CN=C1)CSCCCCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H38N2OS.C2H2O4/c1-3-5-7-9-10-11-15-23-20(17-22-14-13-21-19-22)18-24-16-12-8-6-4-2;3-1(4)2(5)6/h13-14,19-20H,3-12,15-18H2,1-2H3;(H,3,4)(H,5,6)