2-[[7-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-2,3-dihydro-1H-inden-4-yl]oxy]ethanoic acid

Systemtic Name: 2-[[7-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-2,3-dihydro-1H-inden-4-yl]oxy]ethanoic acid Openeye Name: 2-[7-[4-(4-bromophenyl)-4-oxo-butyl]sulfanylindan-4-yl]oxyacetic acid CAS Name: 2-[[7-[[4-(4-bromophenyl)-4-oxobutyl]thio]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid IUPAC Name: 2-[[7-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid Traditional Name: 2-[7-[[4-(4-bromophenyl)-4-keto-butyl]thio]indan-4-yl]oxyacetic acid Formula: C21H21BrO4S MolecularWeight: 449.35804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2C1)SCCCC(=O)C3=CC=C(C=C3)Br)OCC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2C1)SCCCC(=O)C3=CC=C(C=C3)Br)OCC(=O)O

InChI

InChI=1S/C21H21BrO4S/c22-15-8-6-14(7-9-15)18(23)5-2-12-27-20-11-10-19(26-13-21(24)25)16-3-1-4-17(16)20/h6-11H,1-5,12-13H2,(H,24,25)