5-[bis(trifluoromethylsulfonyl)amino]-1-(carboxymethyl)indole-2-carboxylic acid

Systemtic Name: 5-[bis(trifluoromethylsulfonyl)amino]-1-(carboxymethyl)indole-2-carboxylic acid Openeye Name: 5-[bis(trifluoromethylsulfonyl)amino]-1-(carboxymethyl)indole-2-carboxylic acid CAS Name: 5-[bis(trifluoromethylsulfonyl)amino]-1-(carboxymethyl)-2-indolecarboxylic acid IUPAC Name: 5-[bis(trifluoromethylsulfonyl)amino]-1-(carboxymethyl)indole-2-carboxylic acid Traditional Name: 1-(carboxymethyl)-5-(ditriflylamino)indole-2-carboxylic acid Formula: C13H8F6N2O8S2 MolecularWeight: 498.331639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C=C(N2CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C=C(N2CC(=O)O)C(=O)O

InChI

InChI=1S/C13H8F6N2O8S2/c14-12(15,16)30(26,27)21(31(28,29)13(17,18)19)7-1-2-8-6(3-7)4-9(11(24)25)20(8)5-10(22)23/h1-4H,5H2,(H,22,23)(H,24,25)