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

Systemtic Name: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylidene]-6-methoxy-2-methyl-inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylene]-6-methoxy-2-methyl-inden-1-yl]acetic acid CAS Name: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylidene]-6-methoxy-2-methyl-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid Traditional Name: 2-[(3E)-3-[esyl(phenyl)methylene]-6-methoxy-2-methyl-inden-1-yl]acetic acid Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C(=C1C(=C(C2=C1C=CC(=C2)OC)CC(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)/C(=C/1\C(=C(C2=C1C=CC(=C2)OC)CC(=O)O)C)/C3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c1-4-28(25,26)22(15-8-6-5-7-9-15)21-14(2)18(13-20(23)24)19-12-16(27-3)10-11-17(19)21/h5-12H,4,13H2,1-3H3,(H,23,24)/b22-21+