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

Systemtic Name: 3-[[6-[(3-fluorophenyl)methylsulfanyl]-3-oxidanylidene-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[6-[(3-fluorophenyl)methylsulfanyl]-3-oxo-indan-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[6-[(3-fluorophenyl)methylthio]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-[(3-fluorophenyl)methylsulfanyl]-3-oxo-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[6-[(3-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(=CC=C3)F)OCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

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

InChI

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