disodium 5-nitroso-6-oxidanyl-7-sulfo-naphthalene-2-sulfonate

Systemtic Name: disodium 5-nitroso-6-oxidanyl-7-sulfo-naphthalene-2-sulfonate Openeye Name: disodium 6-hydroxy-5-nitroso-7-sulfo-naphthalene-2-sulfonate CAS Name: disodium 6-hydroxy-5-nitroso-7-sulfo-2-naphthalenesulfonate IUPAC Name: disodium 6-hydroxy-5-nitroso-7-sulfonaphthalene-2-sulfonate Traditional Name: disodium 6-hydroxy-5-nitroso-7-sulfo-naphthalene-2-sulfonate Formula: C20H12N2Na2O16S4 MolecularWeight: 710.55262

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H7NO8S2.2Na/c2*12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h2*1-4,12H,(H,14,15,16)(H,17,18,19);;/q;;2*+1/p-2