1,3-bis(oxidanylidene)-2-[3-(trifluoromethylsulfonyl)phenyl]-4H-isoquinoline-4-carboxylic acid

Systemtic Name: 1,3-bis(oxidanylidene)-2-[3-(trifluoromethylsulfonyl)phenyl]-4H-isoquinoline-4-carboxylic acid Openeye Name: 1,3-dioxo-2-[3-(trifluoromethylsulfonyl)phenyl]-4H-isoquinoline-4-carboxylic acid CAS Name: 1,3-dioxo-2-[3-(trifluoromethylsulfonyl)phenyl]-4H-isoquinoline-4-carboxylic acid IUPAC Name: 1,3-dioxo-2-[3-(trifluoromethylsulfonyl)phenyl]-4H-isoquinoline-4-carboxylic acid Traditional Name: 1,3-diketo-2-(3-triflylphenyl)-4H-isoquinoline-4-carboxylic acid Formula: C17H10F3NO6S MolecularWeight: 413.32461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC(=CC=C3)S(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC(=CC=C3)S(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H10F3NO6S/c18-17(19,20)28(26,27)10-5-3-4-9(8-10)21-14(22)12-7-2-1-6-11(12)13(15(21)23)16(24)25/h1-8,13H,(H,24,25)