4-oxidanyl-5-[[3-(trifluoromethyl)phenyl]carbonylamino]naphthalene-2,7-disulfonic acid

Systemtic Name: 4-oxidanyl-5-[[3-(trifluoromethyl)phenyl]carbonylamino]naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]naphthalene-2,7-disulfonic acid Formula: C18H12F3NO8S2 MolecularWeight: 491.41499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C18H12F3NO8S2/c19-18(20,21)11-3-1-2-9(4-11)17(24)22-14-7-12(31(25,26)27)5-10-6-13(32(28,29)30)8-15(23)16(10)14/h1-8,23H,(H,22,24)(H,25,26,27)(H,28,29,30)