2-[(E)-1,4-bis(oxidanyl)-1-oxidanylidene-15-phenyl-pentadec-6-en-5-yl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[(E)-1,4-bis(oxidanyl)-1-oxidanylidene-15-phenyl-pentadec-6-en-5-yl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid Openeye Name: 2-[(E)-1-(1,4-dihydroxy-4-oxo-butyl)-11-phenyl-undec-2-enyl]sulfanyl-3,5-dimethyl-imidazole-4-carboxylic acid CAS Name: 2-[[(E)-1,4-dihydroxy-1-oxo-15-phenylpentadec-6-en-5-yl]thio]-3,5-dimethyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(E)-1,4-dihydroxy-1-oxo-15-phenylpentadec-6-en-5-yl]sulfanyl-3,5-dimethylimidazole-4-carboxylic acid Traditional Name: 2-[[(E)-1-(1,4-dihydroxy-4-keto-butyl)-11-phenyl-undec-2-enyl]thio]-3,5-dimethyl-imidazole-4-carboxylic acid Formula: C27H38N2O5S MolecularWeight: 502.66602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C=CCCCCCCCCC2=CC=CC=C2)C(CCC(=O)O)O)C)C(=O)O

Isomeric SMILES

CC1=C(N(C(=N1)SC(/C=C/CCCCCCCCC2=CC=CC=C2)C(CCC(=O)O)O)C)C(=O)O

InChI

InChI=1S/C27H38N2O5S/c1-20-25(26(33)34)29(2)27(28-20)35-23(22(30)18-19-24(31)32)17-13-8-6-4-3-5-7-10-14-21-15-11-9-12-16-21/h9,11-13,15-17,22-23,30H,3-8,10,14,18-19H2,1-2H3,(H,31,32)(H,33,34)/b17-13+