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

Systemtic Name: 2-(2-octylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid Openeye Name: 2-(2-octylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[[2-(octylthio)-1-benzimidazolyl]-oxomethyl]benzoic acid IUPAC Name: 2-(2-octylsulfanylbenzimidazole-1-carbonyl)benzoic acid Traditional Name: 2-[2-(octylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-2-3-4-5-6-11-16-29-23-24-19-14-9-10-15-20(19)25(23)21(26)17-12-7-8-13-18(17)22(27)28/h7-10,12-15H,2-6,11,16H2,1H3,(H,27,28)