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

Systemtic Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-3-(4-mesylbenzylidene)-6-methoxy-2-methyl-inden-1-yl]acetic acid Formula: C21H20O5S MolecularWeight: 384.4455

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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)OC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-13-18(10-14-4-7-16(8-5-14)27(3,24)25)17-9-6-15(26-2)11-20(17)19(13)12-21(22)23/h4-11H,12H2,1-3H3,(H,22,23)/b18-10+