dihexyl 1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate

Systemtic Name: dihexyl 1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate Openeye Name: dihexyl 1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate CAS Name: 1-(1H-benzimidazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid dihexyl ester IUPAC Name: dihexyl 1-(1H-benzimidazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate Traditional Name: 1-(1H-benzimidazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid dihexyl ester Formula: C27H40N2O4S MolecularWeight: 488.6825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCCCC1(C(=O)OCCCCCC)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCCCOC(=O)C1CCCCC1(C(=O)OCCCCCC)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C27H40N2O4S/c1-3-5-7-13-19-32-24(30)21-15-11-12-18-27(21,25(31)33-20-14-8-6-4-2)34-26-28-22-16-9-10-17-23(22)29-26/h9-10,16-17,21H,3-8,11-15,18-20H2,1-2H3,(H,28,29)