2-[(E)-1,4-bis(oxidanyl)-1-oxidanylidene-nonadec-6-en-5-yl]sulfanyl-5-ethyl-3-methyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[(E)-1,4-bis(oxidanyl)-1-oxidanylidene-nonadec-6-en-5-yl]sulfanyl-5-ethyl-3-methyl-imidazole-4-carboxylic acid Openeye Name: 2-[(E)-1-(1,4-dihydroxy-4-oxo-butyl)pentadec-2-enyl]sulfanyl-5-ethyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[(E)-1,4-dihydroxy-1-oxononadec-6-en-5-yl]thio]-5-ethyl-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(E)-1,4-dihydroxy-1-oxononadec-6-en-5-yl]sulfanyl-5-ethyl-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[[(E)-1-(1,4-dihydroxy-4-keto-butyl)pentadec-2-enyl]thio]-5-ethyl-3-methyl-imidazole-4-carboxylic acid Formula: C26H44N2O5S MolecularWeight: 496.70296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SC1=NC(=C(N1C)C(=O)O)CC

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SC1=NC(=C(N1C)C(=O)O)CC

InChI

InChI=1S/C26H44N2O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22(21(29)18-19-23(30)31)34-26-27-20(5-2)24(25(32)33)28(26)3/h16-17,21-22,29H,4-15,18-19H2,1-3H3,(H,30,31)(H,32,33)/b17-16+