1-(2-dodecoxy-3-methylsulfanyl-propyl)imidazole; ethanedioic acid

Systemtic Name: 1-(2-dodecoxy-3-methylsulfanyl-propyl)imidazole; ethanedioic acid Openeye Name: 1-(2-dodecoxy-3-methylsulfanyl-propyl)imidazole; oxalic acid CAS Name: 1-[2-dodecoxy-3-(methylthio)propyl]imidazole; oxalic acid IUPAC Name: 1-(2-dodecoxy-3-methylsulfanylpropyl)imidazole; oxalic acid Traditional Name: 1-[2-lauryloxy-3-(methylthio)propyl]imidazole; oxalic acid Formula: C21H38N2O5S MolecularWeight: 430.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(CN1C=CN=C1)CSC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC(CN1C=CN=C1)CSC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H36N2OS.C2H2O4/c1-3-4-5-6-7-8-9-10-11-12-15-22-19(17-23-2)16-21-14-13-20-18-21;3-1(4)2(5)6/h13-14,18-19H,3-12,15-17H2,1-2H3;(H,3,4)(H,5,6)