3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(8-oxidanyl-8-oxidanylidene-octyl)sulfanyl-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(8-oxidanyl-8-oxidanylidene-octyl)sulfanyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(8-hydroxy-8-oxo-octyl)sulfanyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(8-hydroxy-8-oxooctyl)thio]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(8-hydroxy-8-oxooctyl)sulfanyl-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(8-hydroxy-8-keto-octyl)thio]-2-propyl-imidazole-4-carboxylic acid Formula: C23H29ClN2O6S MolecularWeight: 497.00416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SCCCCCCCC(=O)O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SCCCCCCCC(=O)O

InChI

InChI=1S/C23H29ClN2O6S/c1-2-8-19-25-22(33-10-7-5-3-4-6-9-20(27)28)21(23(29)30)26(19)13-15-11-17-18(12-16(15)24)32-14-31-17/h11-12H,2-10,13-14H2,1H3,(H,27,28)(H,29,30)