6-[[(6-carboxynaphthalen-2-yl)methyl-(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[[(6-carboxynaphthalen-2-yl)methyl-(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid Openeye Name: 6-[[(6-carboxy-2-naphthyl)methyl-(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid CAS Name: 6-[[(6-carboxy-2-naphthalenyl)methyl-(trifluoromethylsulfonyl)amino]methyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[[(6-carboxynaphthalen-2-yl)methyl-(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid Traditional Name: 6-[[(6-carboxy-2-naphthyl)methyl-triflyl-amino]methyl]-2-naphthoic acid Formula: C25H18F3NO6S MolecularWeight: 517.47373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C(=O)O)C=C1CN(CC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CC(=C2)C(=O)O)C=C1CN(CC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C25H18F3NO6S/c26-25(27,28)36(34,35)29(13-15-1-3-19-11-21(23(30)31)7-5-17(19)9-15)14-16-2-4-20-12-22(24(32)33)8-6-18(20)10-16/h1-12H,13-14H2,(H,30,31)(H,32,33)