2-[(3E)-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-6-oxidanyl-inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-6-oxidanyl-inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-hydroxy-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-hydroxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-hydroxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-hydroxy-3-(4-mesylbenzylidene)-2-methyl-inden-1-yl]acetic acid Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)O)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)O)CC(=O)O

InChI

InChI=1S/C20H18O5S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10,21H,11H2,1-2H3,(H,22,23)/b17-9+