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

Systemtic Name: 2-[(3Z)-2-methyl-3-[methylsulfanyl(phenyl)methylidene]-6-oxidanyl-inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfanyl(phenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[(methylthio)-phenylmethylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[(methylthio)-phenyl-methylene]inden-1-yl]acetic acid Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=C(C3=CC=CC=C3)SC)C=CC(=C2)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18O3S/c1-12-16(11-18(22)23)17-10-14(21)8-9-15(17)19(12)20(24-2)13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3,(H,22,23)/b20-19-