1-(3-decylsulfanyl-2-propan-2-ylsulfanyl-propyl)imidazole; ethanedioic acid

Systemtic Name: 1-(3-decylsulfanyl-2-propan-2-ylsulfanyl-propyl)imidazole; ethanedioic acid Openeye Name: 1-(3-decylsulfanyl-2-isopropylsulfanyl-propyl)imidazole; oxalic acid CAS Name: 1-[3-(decylthio)-2-(propan-2-ylthio)propyl]imidazole; oxalic acid IUPAC Name: 1-(3-decylsulfanyl-2-propan-2-ylsulfanylpropyl)imidazole; oxalic acid Traditional Name: 1-[3-(decylthio)-2-(isopropylthio)propyl]imidazole; oxalic acid Formula: C21H38N2O4S2 MolecularWeight: 446.66742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36N2S2.C2H2O4/c1-4-5-6-7-8-9-10-11-14-22-16-19(23-18(2)3)15-21-13-12-20-17-21;3-1(4)2(5)6/h12-13,17-19H,4-11,14-16H2,1-3H3;(H,3,4)(H,5,6)