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

Systemtic Name: 2-[(E)-1,4-bis(oxidanyl)-1-oxidanylidene-nonadec-6-en-5-yl]sulfanyl-3-methyl-5-propan-2-yl-imidazole-4-carboxylic acid Openeye Name: 2-[(E)-1-(1,4-dihydroxy-4-oxo-butyl)pentadec-2-enyl]sulfanyl-5-isopropyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[(E)-1,4-dihydroxy-1-oxononadec-6-en-5-yl]thio]-3-methyl-5-propan-2-yl-4-imidazolecarboxylic acid IUPAC Name: 2-[(E)-1,4-dihydroxy-1-oxononadec-6-en-5-yl]sulfanyl-3-methyl-5-propan-2-ylimidazole-4-carboxylic acid Traditional Name: 2-[[(E)-1-(1,4-dihydroxy-4-keto-butyl)pentadec-2-enyl]thio]-5-isopropyl-3-methyl-imidazole-4-carboxylic acid Formula: C27H46N2O5S MolecularWeight: 510.72954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(21(30)18-19-23(31)32)35-27-28-24(20(2)3)25(26(33)34)29(27)4/h16-17,20-22,30H,5-15,18-19H2,1-4H3,(H,31,32)(H,33,34)/b17-16+