2-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-3-methyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-3-methyl-imidazole-4-carboxylic acid Openeye Name: 2-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanyl-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]-3-methyl-imidazole-4-carboxylic acid Formula: C22H38N2O4S MolecularWeight: 426.61312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(19(26)17-25)29-22-23-16-18(21(27)28)24(22)2/h14-16,19-20,25-26H,3-13,17H2,1-2H3,(H,27,28)/b15-14+