disodium 4-oxidanyl-6-(2-sulfonatoethylamino)naphthalene-2-sulfonate

Systemtic Name: disodium 4-oxidanyl-6-(2-sulfonatoethylamino)naphthalene-2-sulfonate Openeye Name: disodium 4-hydroxy-6-(2-sulfonatoethylamino)naphthalene-2-sulfonate CAS Name: disodium 4-hydroxy-6-(2-sulfonatoethylamino)-2-naphthalenesulfonate IUPAC Name: disodium 4-hydroxy-6-(2-sulfonatoethylamino)naphthalene-2-sulfonate Traditional Name: disodium 4-hydroxy-6-(2-sulfonatoethylamino)naphthalene-2-sulfonate Formula: C12H11NNa2O7S2 MolecularWeight: 391.32778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)NCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)NCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H13NO7S2.2Na/c14-12-7-10(22(18,19)20)5-8-1-2-9(6-11(8)12)13-3-4-21(15,16)17;;/h1-2,5-7,13-14H,3-4H2,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2