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

Systemtic Name: 1-(2-butylsulfanyl-3-hexoxy-propyl)imidazole; ethanedioic acid Openeye Name: 1-(2-butylsulfanyl-3-hexoxy-propyl)imidazole; oxalic acid CAS Name: 1-[2-(butylthio)-3-hexoxypropyl]imidazole; oxalic acid IUPAC Name: 1-(2-butylsulfanyl-3-hexoxypropyl)imidazole; oxalic acid Traditional Name: 1-[2-(butylthio)-3-hexoxy-propyl]imidazole; oxalic acid Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(CN1C=CN=C1)SCCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCOCC(CN1C=CN=C1)SCCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H30N2OS.C2H2O4/c1-3-5-7-8-11-19-14-16(20-12-6-4-2)13-18-10-9-17-15-18;3-1(4)2(5)6/h9-10,15-16H,3-8,11-14H2,1-2H3;(H,3,4)(H,5,6)