4,8-dinitro-7-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 4,8-dinitro-7-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-hydroxy-4,8-dinitro-naphthalene-2-sulfonic acid CAS Name: 7-hydroxy-4,8-dinitro-2-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-4,8-dinitronaphthalene-2-sulfonic acid Traditional Name: 7-hydroxy-4,8-dinitro-naphthalene-2-sulfonic acid Formula: C10H6N2O8S MolecularWeight: 314.22824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C10H6N2O8S/c13-9-2-1-6-7(10(9)12(16)17)3-5(21(18,19)20)4-8(6)11(14)15/h1-4,13H,(H,18,19,20)