2,4-bis(azanyl)-5-nitro-benzenesulfonic acid; 2,4-bis(dimethylamino)-5-nitro-benzenesulfonic acid

Systemtic Name: 2,4-bis(azanyl)-5-nitro-benzenesulfonic acid; 2,4-bis(dimethylamino)-5-nitro-benzenesulfonic acid Openeye Name: 2,4-bis(dimethylamino)-5-nitro-benzenesulfonic acid; 2,4-diamino-5-nitro-benzenesulfonic acid CAS Name: 2,4-bis(dimethylamino)-5-nitrobenzenesulfonic acid; 2,4-diamino-5-nitrobenzenesulfonic acid IUPAC Name: 2,4-bis(dimethylamino)-5-nitrobenzenesulfonic acid; 2,4-diamino-5-nitrobenzenesulfonic acid Traditional Name: 2,4-bis(dimethylamino)-5-nitro-besylic acid; 2,4-diamino-5-nitro-besylic acid Formula: C16H22N6O10S2 MolecularWeight: 522.51008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)N(C)C.C1=C(C(=CC(=C1N)S(=O)(=O)O)[N+](=O)[O-])N

Isomeric SMILES

CN(C)C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)N(C)C.C1=C(C(=CC(=C1N)S(=O)(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C10H15N3O5S.C6H7N3O5S/c1-11(2)7-5-9(12(3)4)10(19(16,17)18)6-8(7)13(14)15;7-3-1-4(8)6(15(12,13)14)2-5(3)9(10)11/h5-6H,1-4H3,(H,16,17,18);1-2H,7-8H2,(H,12,13,14)