2-[1,4-bis(oxidanyl)-1-oxidanylidene-nonadec-6-yn-5-yl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[1,4-bis(oxidanyl)-1-oxidanylidene-nonadec-6-yn-5-yl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid Openeye Name: 2-[1-(1,4-dihydroxy-4-oxo-butyl)pentadec-2-ynylsulfanyl]-3,5-dimethyl-imidazole-4-carboxylic acid CAS Name: 2-[(1,4-dihydroxy-1-oxononadec-6-yn-5-yl)thio]-3,5-dimethyl-4-imidazolecarboxylic acid IUPAC Name: 2-(1,4-dihydroxy-1-oxononadec-6-yn-5-yl)sulfanyl-3,5-dimethylimidazole-4-carboxylic acid Traditional Name: 2-[1-(1,4-dihydroxy-4-keto-butyl)pentadec-2-ynylthio]-3,5-dimethyl-imidazole-4-carboxylic acid Formula: C25H40N2O5S MolecularWeight: 480.6605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20(28)17-18-22(29)30)33-25-26-19(2)23(24(31)32)27(25)3/h20-21,28H,4-14,17-18H2,1-3H3,(H,29,30)(H,31,32)