2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-6-oxidanyl-inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-6-oxidanyl-inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-6-hydroxy-3-[mesyl(phenyl)methylene]-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=C(C3=CC=CC=C3)S(=O)(=O)C)C=CC(=C2)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18O5S/c1-12-16(11-18(22)23)17-10-14(21)8-9-15(17)19(12)20(26(2,24)25)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,22,23)/b20-19-