ethanedioic acid; 1-(3-heptylsulfanyl-2-octoxy-propyl)imidazole

Systemtic Name: ethanedioic acid; 1-(3-heptylsulfanyl-2-octoxy-propyl)imidazole Openeye Name: 1-(3-heptylsulfanyl-2-octoxy-propyl)imidazole; oxalic acid CAS Name: 1-[3-(heptylthio)-2-octoxypropyl]imidazole; oxalic acid IUPAC Name: 1-(3-heptylsulfanyl-2-octoxypropyl)imidazole; oxalic acid Traditional Name: 1-[3-(heptylthio)-2-octoxy-propyl]imidazole; oxalic acid Formula: C23H42N2O5S MolecularWeight: 458.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(CN1C=CN=C1)CSCCCCCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOC(CN1C=CN=C1)CSCCCCCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H40N2OS.C2H2O4/c1-3-5-7-9-10-12-16-24-21(18-23-15-14-22-20-23)19-25-17-13-11-8-6-4-2;3-1(4)2(5)6/h14-15,20-21H,3-13,16-19H2,1-2H3;(H,3,4)(H,5,6)