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

Systemtic Name: 4-[(4-hydroxyphenyl)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(4-hydroxyanilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(4-hydroxyanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(4-hydroxyanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-hydroxyanilino)-3,5-dinitro-besylic acid Formula: C12H9N3O8S MolecularWeight: 355.28016

Click to see the large picture

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)13-12-10(14(17)18)5-9(24(21,22)23)6-11(12)15(19)20/h1-6,13,16H,(H,21,22,23)