disodium 4-nitroso-3-oxidanyl-naphthalene-2,7-disulfonate hydrate

Systemtic Name: disodium 4-nitroso-3-oxidanyl-naphthalene-2,7-disulfonate hydrate Openeye Name: disodium 3-hydroxy-4-nitroso-naphthalene-2,7-disulfonate hydrate CAS Name: disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate hydrate IUPAC Name: disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate hydrate Traditional Name: disodium 3-hydroxy-4-nitroso-naphthalene-2,7-disulfonate hydrate Formula: C10H7NNa2O9S2 MolecularWeight: 395.27342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])O)N=O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])O)N=O.O.[Na+].[Na+]

InChI

InChI=1S/C10H7NO8S2.2Na.H2O/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;;1H2/q;2*+1;/p-2