2-[(4-hydroxyphenyl)amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 2-[(4-hydroxyphenyl)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 2-(4-hydroxyanilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 2-(4-hydroxyanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 2-(4-hydroxyanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 2-(4-hydroxyanilino)-3,5-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=C2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

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