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

Systemtic Name: 3-methyl-2-[(E)-1-oxidanyl-1-oxidanylidene-hexadec-3-en-2-yl]sulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-[(E)-1-carboxypentadec-2-enyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[(E)-1-hydroxy-1-oxohexadec-3-en-2-yl]thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(E)-1-hydroxy-1-oxohexadec-3-en-2-yl]sulfanyl-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[[(E)-1-carboxypentadec-2-enyl]thio]-3-methyl-imidazole-4-carboxylic acid Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20(26)27)28-21-22-16-17(19(24)25)23(21)2/h14-16,18H,3-13H2,1-2H3,(H,24,25)(H,26,27)/b15-14+