sodium 5-[(2,4-dinitrophenyl)amino]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: sodium 5-[(2,4-dinitrophenyl)amino]-2-oxidanyl-benzenesulfonic acid Openeye Name: sodium 5-(2,4-dinitroanilino)-2-hydroxy-benzenesulfonic acid CAS Name: sodium 5-(2,4-dinitroanilino)-2-hydroxybenzenesulfonic acid IUPAC Name: sodium 5-(2,4-dinitroanilino)-2-hydroxybenzenesulfonic acid Traditional Name: sodium 5-(2,4-dinitroanilino)-2-hydroxy-besylic acid Formula: C12H9N3NaO8S+ MolecularWeight: 378.26993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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