4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid; methanesulfonic acid

Systemtic Name: 4-[[2-butyl-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid; methanesulfonic acid Openeye Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid; methanesulfonic acid CAS Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]benzoic acid; methanesulfonic acid IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid; methanesulfonic acid Traditional Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid; mesylic acid Formula: C24H28N2O7S2 MolecularWeight: 520.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O.CS(=O)(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C23H24N2O4S.CH4O3S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;1-5(2,3)4/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);1H3,(H,2,3,4)/b18-12+;