3-[(4-hydroxyphenyl)amino]-2,6-dinitro-benzenesulfonic acid

Systemtic Name: 3-[(4-hydroxyphenyl)amino]-2,6-dinitro-benzenesulfonic acid Openeye Name: 3-(4-hydroxyanilino)-2,6-dinitro-benzenesulfonic acid CAS Name: 3-(4-hydroxyanilino)-2,6-dinitrobenzenesulfonic acid IUPAC Name: 3-(4-hydroxyanilino)-2,6-dinitrobenzenesulfonic acid Traditional Name: 3-(4-hydroxyanilino)-2,6-dinitro-besylic acid Formula: C12H9N3O8S MolecularWeight: 355.28016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C12H9N3O8S/c16-8-3-1-7(2-4-8)13-9-5-6-10(14(17)18)12(24(21,22)23)11(9)15(19)20/h1-6,13,16H,(H,21,22,23)