4-[[2-butyl-5-[oxidanyl(sulfinooxy)methyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[oxidanyl(sulfinooxy)methyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-[hydroxy(sulfinooxy)methyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[hydroxy(sulfinooxy)methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[hydroxy(sulfinooxy)methyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-[hydroxy(sulfinooxy)methyl]imidazol-1-yl]methyl]benzoic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(O)OS(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C(O)OS(=O)O

InChI

InChI=1S/C16H20N2O6S/c1-2-3-4-14-17-9-13(16(21)24-25(22)23)18(14)10-11-5-7-12(8-6-11)15(19)20/h5-9,16,21H,2-4,10H2,1H3,(H,19,20)(H,22,23)