sodium 1-azanyl-8-oxidanyl-4-sulfo-naphthalene-2-sulfonate dihydrate

Systemtic Name: sodium 1-azanyl-8-oxidanyl-4-sulfo-naphthalene-2-sulfonate dihydrate Openeye Name: sodium 1-amino-8-hydroxy-4-sulfo-naphthalene-2-sulfonate dihydrate CAS Name: sodium 1-amino-8-hydroxy-4-sulfo-2-naphthalenesulfonate dihydrate IUPAC Name: sodium 1-amino-8-hydroxy-4-sulfonaphthalene-2-sulfonate dihydrate Traditional Name: sodium 1-amino-8-hydroxy-4-sulfo-naphthalene-2-sulfonate dihydrate Formula: C10H12NNaO9S2 MolecularWeight: 377.32335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)O)S(=O)(=O)[O-])N.O.O.[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)O)S(=O)(=O)[O-])N.O.O.[Na+]

InChI

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