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

Systemtic Name: ethanedioic acid; 1-(2-ethylsulfanyl-3-octoxy-propyl)imidazole Openeye Name: 1-(2-ethylsulfanyl-3-octoxy-propyl)imidazole; oxalic acid CAS Name: 1-[2-(ethylthio)-3-octoxypropyl]imidazole; oxalic acid IUPAC Name: 1-(2-ethylsulfanyl-3-octoxypropyl)imidazole; oxalic acid Traditional Name: 1-[2-(ethylthio)-3-octoxy-propyl]imidazole; oxalic acid Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(CN1C=CN=C1)SCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOCC(CN1C=CN=C1)SCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H30N2OS.C2H2O4/c1-3-5-6-7-8-9-12-19-14-16(20-4-2)13-18-11-10-17-15-18;3-1(4)2(5)6/h10-11,15-16H,3-9,12-14H2,1-2H3;(H,3,4)(H,5,6)