3-[[6-[(4-fluorophenyl)methylsulfanyl]-3-oxidanylidene-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[6-[(4-fluorophenyl)methylsulfanyl]-3-oxidanylidene-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[6-[(4-fluorophenyl)methylsulfanyl]-3-oxo-indan-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[6-[(4-fluorophenyl)methylthio]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-[(4-fluorophenyl)methylsulfanyl]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[6-[(4-fluorobenzyl)thio]-3-keto-indan-5-yl]oxymethyl]benzoic acid Formula: C24H19FO4S MolecularWeight: 422.468663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=CC(=C(C=C21)SCC3=CC=C(C=C3)F)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(=O)C2=CC(=C(C=C21)SCC3=CC=C(C=C3)F)OCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H19FO4S/c25-19-7-4-15(5-8-19)14-30-23-11-17-6-9-21(26)20(17)12-22(23)29-13-16-2-1-3-18(10-16)24(27)28/h1-5,7-8,10-12H,6,9,13-14H2,(H,27,28)