3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-5-ethyl-3-(2-ethylhexyl)nonanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-5-ethyl-3-(2-ethylhexyl)nonanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-5-ethyl-3-(2-ethylhexyl)nonanoic acid CAS Name: 3-[(1H-benzimidazol-2-ylthio)oxy-oxomethyl]-5-ethyl-3-(2-ethylhexyl)nonanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyloxycarbonyl)-5-ethyl-3-(2-ethylhexyl)nonanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)oxycarbonyl-5-ethyl-3-(2-ethylhexyl)pelargonic acid Formula: C27H42N2O4S MolecularWeight: 490.69838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C27H42N2O4S/c1-5-9-13-20(7-3)17-27(19-24(30)31,18-21(8-4)14-10-6-2)25(32)33-34-26-28-22-15-11-12-16-23(22)29-26/h11-12,15-16,20-21H,5-10,13-14,17-19H2,1-4H3,(H,28,29)(H,30,31)