2-[1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid Openeye Name: 2-[1-(2-dodecylphenyl)-2-hydroxy-2-oxo-ethyl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid CAS Name: 2-[[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]thio]-3,5-dimethyl-4-imidazolecarboxylic acid IUPAC Name: 2-[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]sulfanyl-3,5-dimethylimidazole-4-carboxylic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-(2-laurylphenyl)ethyl]thio]-3,5-dimethyl-imidazole-4-carboxylic acid Formula: C26H38N2O4S MolecularWeight: 474.65592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC(=C(N2C)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC2=NC(=C(N2C)C(=O)O)C

InChI

InChI=1S/C26H38N2O4S/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)23(25(31)32)33-26-27-19(2)22(24(29)30)28(26)3/h14-15,17-18,23H,4-13,16H2,1-3H3,(H,29,30)(H,31,32)