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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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