4-dibenzothiophen-2-yl-3-fluoranyl-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-dibenzothiophen-2-yl-3-fluoranyl-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-dibenzothiophen-2-yl-3-fluoro-4-oxo-butanoic acid CAS Name: 4-(2-dibenzothiophenyl)-3-fluoro-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-dibenzothiophen-2-yl-3-fluoro-4-oxobutanoic acid Traditional Name: 2-benzyl-4-dibenzothiophen-2-yl-3-fluoro-4-keto-butyric acid Formula: C23H17FO3S MolecularWeight: 392.442683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C43)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C43)F)C(=O)O

InChI

InChI=1S/C23H17FO3S/c24-21(18(23(26)27)12-14-6-2-1-3-7-14)22(25)15-10-11-20-17(13-15)16-8-4-5-9-19(16)28-20/h1-11,13,18,21H,12H2,(H,26,27)