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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O4S/c1-3-4-5-6-7-8-9-10-11-12-16-22-17-13-14-18-23(22)25(19-15-20-26(31)32)35-28-29-21-24(27(33)34)30(28)2/h13-14,17-18,21,25H,3-12,15-16,19-20H2,1-2H3,(H,31,32)(H,33,34)