2-[6-fluoranyl-4-(1H-inden-1-yl)-2-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-inden-1-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-4-(1H-inden-1-yl)-2-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-inden-1-yl]ethanoic acid Openeye Name: 2-[6-fluoro-4-(1H-inden-1-yl)-2-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-inden-1-yl]acetic acid CAS Name: 2-[6-fluoro-4-(1H-inden-1-yl)-2-methyl-3-[[4-(methylthio)phenyl]methyl]-1H-inden-1-yl]acetic acid IUPAC Name: 2-[6-fluoro-4-(1H-inden-1-yl)-2-methyl-3-[(4-methylsulfanylphenyl)methyl]-1H-inden-1-yl]acetic acid Traditional Name: 2-[6-fluoro-4-(1H-inden-1-yl)-2-methyl-3-[4-(methylthio)benzyl]-1H-inden-1-yl]acetic acid Formula: C29H25FO2S MolecularWeight: 456.571003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1CC(=O)O)C=C(C=C2C3C=CC4=CC=CC=C34)F)CC5=CC=C(C=C5)SC

Isomeric SMILES

CC1=C(C2=C(C1CC(=O)O)C=C(C=C2C3C=CC4=CC=CC=C34)F)CC5=CC=C(C=C5)SC

InChI

InChI=1S/C29H25FO2S/c1-17-24(16-28(31)32)27-15-20(30)14-26(23-12-9-19-5-3-4-6-22(19)23)29(27)25(17)13-18-7-10-21(33-2)11-8-18/h3-12,14-15,23-24H,13,16H2,1-2H3,(H,31,32)