2-(2-undecylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid

Systemtic Name: 2-(2-undecylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid Openeye Name: 2-(2-undecylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[oxo-[2-(undecylthio)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 2-(2-undecylsulfanylbenzimidazole-1-carbonyl)benzoic acid Traditional Name: 2-[2-(undecylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H32N2O3S/c1-2-3-4-5-6-7-8-9-14-19-32-26-27-22-17-12-13-18-23(22)28(26)24(29)20-15-10-11-16-21(20)25(30)31/h10-13,15-18H,2-9,14,19H2,1H3,(H,30,31)