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

Systemtic Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-methoxy-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H20O4S/c1-13-18(10-14-4-7-16(8-5-14)26(3)24)17-9-6-15(25-2)11-20(17)19(13)12-21(22)23/h4-11H,12H2,1-3H3,(H,22,23)/b18-10+