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

Systemtic Name: 5-[(E)-1,4-bis(oxidanyl)-1-oxidanylidene-nonadec-6-en-5-yl]sulfanyl-3-methyl-imidazole-4-carboxylic acid Openeye Name: 5-[(E)-1-(1,4-dihydroxy-4-oxo-butyl)pentadec-2-enyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 5-[[(E)-1,4-dihydroxy-1-oxononadec-6-en-5-yl]thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 5-[(E)-1,4-dihydroxy-1-oxononadec-6-en-5-yl]sulfanyl-3-methylimidazole-4-carboxylic acid Traditional Name: 5-[[(E)-1-(1,4-dihydroxy-4-keto-butyl)pentadec-2-enyl]thio]-3-methyl-imidazole-4-carboxylic acid Formula: C24H40N2O5S MolecularWeight: 468.6498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SC1=C(N(C=N1)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SC1=C(N(C=N1)C)C(=O)O

InChI

InChI=1S/C24H40N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(19(27)16-17-21(28)29)32-23-22(24(30)31)26(2)18-25-23/h14-15,18-20,27H,3-13,16-17H2,1-2H3,(H,28,29)(H,30,31)/b15-14+