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

Systemtic Name: 1-(2-butylsulfanyl-3-decoxy-propyl)imidazole; ethanedioic acid Openeye Name: 1-(2-butylsulfanyl-3-decoxy-propyl)imidazole; oxalic acid CAS Name: 1-[2-(butylthio)-3-decoxypropyl]imidazole; oxalic acid IUPAC Name: 1-(2-butylsulfanyl-3-decoxypropyl)imidazole; oxalic acid Traditional Name: 1-[2-(butylthio)-3-decoxy-propyl]imidazole; oxalic acid Formula: C22H40N2O5S MolecularWeight: 444.6284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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