1-[2,3-bis(heptylsulfanyl)propyl]imidazole; ethanedioic acid

Systemtic Name: 1-[2,3-bis(heptylsulfanyl)propyl]imidazole; ethanedioic acid Openeye Name: 1-[2,3-bis(heptylsulfanyl)propyl]imidazole; oxalic acid CAS Name: 1-[2,3-bis(heptylthio)propyl]imidazole; oxalic acid IUPAC Name: 1-[2,3-bis(heptylsulfanyl)propyl]imidazole; oxalic acid Traditional Name: 1-[2,3-bis(heptylthio)propyl]imidazole; oxalic acid Formula: C22H40N2O4S2 MolecularWeight: 460.694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(CN1C=CN=C1)SCCCCCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCSCC(CN1C=CN=C1)SCCCCCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H38N2S2.C2H2O4/c1-3-5-7-9-11-15-23-18-20(17-22-14-13-21-19-22)24-16-12-10-8-6-4-2;3-1(4)2(5)6/h13-14,19-20H,3-12,15-18H2,1-2H3;(H,3,4)(H,5,6)