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

Systemtic Name: 3-methyl-2-[(E)-1-oxidanyl-1-oxidanylidene-nonadec-6-en-5-yl]sulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-[(E)-1-(4-hydroxy-4-oxo-butyl)pentadec-2-enyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[(E)-1-hydroxy-1-oxononadec-6-en-5-yl]thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(E)-1-hydroxy-1-oxononadec-6-en-5-yl]sulfanyl-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[[(E)-1-(4-hydroxy-4-keto-butyl)pentadec-2-enyl]thio]-3-methyl-imidazole-4-carboxylic acid Formula: C24H40N2O4S MolecularWeight: 452.6504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CCCC(=O)O)SC1=NC=C(N1C)C(=O)O

InChI

InChI=1S/C24H40N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20(17-15-18-22(27)28)31-24-25-19-21(23(29)30)26(24)2/h14,16,19-20H,3-13,15,17-18H2,1-2H3,(H,27,28)(H,29,30)/b16-14+