3,5-dimethyl-2-[(6E)-18-methyl-1,4-bis(oxidanyl)-1-oxidanylidene-nonadeca-6,17-dien-5-yl]sulfanylcarbonyl-imidazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-2-[(6E)-18-methyl-1,4-bis(oxidanyl)-1-oxidanylidene-nonadeca-6,17-dien-5-yl]sulfanylcarbonyl-imidazole-4-carboxylic acid Openeye Name: 2-[(2E)-1-(1,4-dihydroxy-4-oxo-butyl)-14-methyl-pentadeca-2,13-dienyl]sulfanylcarbonyl-3,5-dimethyl-imidazole-4-carboxylic acid CAS Name: 2-[[[(6E)-1,4-dihydroxy-18-methyl-1-oxononadeca-6,17-dien-5-yl]thio]-oxomethyl]-3,5-dimethyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(6E)-1,4-dihydroxy-18-methyl-1-oxononadeca-6,17-dien-5-yl]sulfanylcarbonyl-3,5-dimethylimidazole-4-carboxylic acid Traditional Name: 2-[[(2E)-1-(1,4-dihydroxy-4-keto-butyl)-14-methyl-pentadeca-2,13-dienyl]thio]carbonyl-3,5-dimethyl-imidazole-4-carboxylic acid Formula: C27H42N2O6S MolecularWeight: 522.69718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)C(=O)SC(C=CCCCCCCCCCC=C(C)C)C(CCC(=O)O)O)C)C(=O)O

Isomeric SMILES

CC1=C(N(C(=N1)C(=O)SC(/C=C/CCCCCCCCCC=C(C)C)C(CCC(=O)O)O)C)C(=O)O

InChI

InChI=1S/C27H42N2O6S/c1-19(2)15-13-11-9-7-5-6-8-10-12-14-16-22(21(30)17-18-23(31)32)36-27(35)25-28-20(3)24(26(33)34)29(25)4/h14-16,21-22,30H,5-13,17-18H2,1-4H3,(H,31,32)(H,33,34)/b16-14+