sodium 4-azaniumyl-5-oxidanyl-naphthalene-2,7-disulfonate hydrate

Systemtic Name: sodium 4-azaniumyl-5-oxidanyl-naphthalene-2,7-disulfonate hydrate Openeye Name: sodium 4-azaniumyl-5-hydroxy-naphthalene-2,7-disulfonate hydrate CAS Name: sodium 4-ammonio-5-hydroxynaphthalene-2,7-disulfonate hydrate IUPAC Name: sodium 4-azaniumyl-5-hydroxynaphthalene-2,7-disulfonate hydrate Traditional Name: sodium 4-ammonio-5-hydroxy-naphthalene-2,7-disulfonate hydrate Formula: C10H10NNaO8S2 MolecularWeight: 359.30807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])[NH3+])O)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])[NH3+])O)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C10H9NO7S2.Na.H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;1H2/q;+1;/p-1