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

Systemtic Name: 2-[1-(2-dodecylphenyl)-2,5-bis(oxidanyl)-5-oxidanylidene-pentyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid Openeye Name: 2-[1-(2-dodecylphenyl)-2,5-dihydroxy-5-oxo-pentyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[1-(2-dodecylphenyl)-2,5-dihydroxy-5-oxopentyl]thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[1-(2-dodecylphenyl)-2,5-dihydroxy-5-oxopentyl]sulfanyl-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[[2,5-dihydroxy-5-keto-1-(2-laurylphenyl)pentyl]thio]-3-methyl-imidazole-4-carboxylic acid Formula: C28H42N2O5S MolecularWeight: 518.70848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O5S/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-14-17-22(21)26(24(31)18-19-25(32)33)36-28-29-20-23(27(34)35)30(28)2/h13-14,16-17,20,24,26,31H,3-12,15,18-19H2,1-2H3,(H,32,33)(H,34,35)