ethanedioic acid; 1-(2-hexoxy-3-octylsulfanyl-propyl)imidazole

Systemtic Name: ethanedioic acid; 1-(2-hexoxy-3-octylsulfanyl-propyl)imidazole Openeye Name: 1-(2-hexoxy-3-octylsulfanyl-propyl)imidazole; oxalic acid CAS Name: 1-[2-hexoxy-3-(octylthio)propyl]imidazole; oxalic acid IUPAC Name: 1-(2-hexoxy-3-octylsulfanylpropyl)imidazole; oxalic acid Traditional Name: 1-[2-hexoxy-3-(octylthio)propyl]imidazole; oxalic acid Formula: C22H40N2O5S MolecularWeight: 444.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(CN1C=CN=C1)OCCCCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCSCC(CN1C=CN=C1)OCCCCCC.C(=O)(C(=O)O)O

InChI

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