2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfonylnaphthalene-1,3-disulfonic acid

Systemtic Name: 2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfonylnaphthalene-1,3-disulfonic acid Openeye Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonylnaphthalene-1,3-disulfonic acid CAS Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonylnaphthalene-1,3-disulfonic acid IUPAC Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonylnaphthalene-1,3-disulfonic acid Traditional Name: 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonylnaphthalene-1,3-disulfonic acid Formula: C17H12F3NO8S3 MolecularWeight: 511.46929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)S(=O)(=O)C3=C(C=C(C=C3)C(F)(F)F)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)S(=O)(=O)C3=C(C=C(C=C3)C(F)(F)F)N)S(=O)(=O)O

InChI

InChI=1S/C17H12F3NO8S3/c18-17(19,20)10-5-6-13(12(21)8-10)30(22,23)16-14(31(24,25)26)7-9-3-1-2-4-11(9)15(16)32(27,28)29/h1-8H,21H2,(H,24,25,26)(H,27,28,29)