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

Systemtic Name: 2-[1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanyl-3-methyl-5-propyl-imidazole-4-carboxylic acid Openeye Name: 2-[1-(2-dodecylphenyl)-2-hydroxy-2-oxo-ethyl]sulfanyl-3-methyl-5-propyl-imidazole-4-carboxylic acid CAS Name: 2-[[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]thio]-3-methyl-5-propyl-4-imidazolecarboxylic acid IUPAC Name: 2-[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]sulfanyl-3-methyl-5-propylimidazole-4-carboxylic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-(2-laurylphenyl)ethyl]thio]-3-methyl-5-propyl-imidazole-4-carboxylic acid Formula: C28H42N2O4S MolecularWeight: 502.70908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O4S/c1-4-6-7-8-9-10-11-12-13-14-18-21-19-15-16-20-22(21)25(27(33)34)35-28-29-23(17-5-2)24(26(31)32)30(28)3/h15-16,19-20,25H,4-14,17-18H2,1-3H3,(H,31,32)(H,33,34)