4-[3-(4-methylsulfonylphenyl)-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-2-yl]benzoic acid

Systemtic Name: 4-[3-(4-methylsulfonylphenyl)-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-2-yl]benzoic acid Openeye Name: 4-[3-(4-methylsulfonylphenyl)-7-oxo-5,6-dihydro-4H-benzothiophen-2-yl]benzoic acid CAS Name: 4-[3-(4-methylsulfonylphenyl)-7-oxo-5,6-dihydro-4H-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 4-[3-(4-methylsulfonylphenyl)-7-oxo-5,6-dihydro-4H-1-benzothiophen-2-yl]benzoic acid Traditional Name: 4-[7-keto-3-(4-mesylphenyl)-5,6-dihydro-4H-benzothiophen-2-yl]benzoic acid Formula: C22H18O5S2 MolecularWeight: 426.50532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC3=C2CCCC3=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC3=C2CCCC3=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18O5S2/c1-29(26,27)16-11-9-13(10-12-16)19-17-3-2-4-18(23)21(17)28-20(19)14-5-7-15(8-6-14)22(24)25/h5-12H,2-4H2,1H3,(H,24,25)