calcium 3-nitroso-4-oxidanyl-naphthalene-1-sulfonate

Systemtic Name: calcium 3-nitroso-4-oxidanyl-naphthalene-1-sulfonate Openeye Name: calcium 4-hydroxy-3-nitroso-naphthalene-1-sulfonate CAS Name: calcium 4-hydroxy-3-nitroso-1-naphthalenesulfonate IUPAC Name: calcium 4-hydroxy-3-nitrosonaphthalene-1-sulfonate Traditional Name: calcium 4-hydroxy-3-nitroso-naphthalene-1-sulfonate Formula: C20H12CaN2O10S2 MolecularWeight: 544.52468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)N=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2O)N=O)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)N=O)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2O)N=O)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H7NO5S.Ca/c2*12-10-7-4-2-1-3-6(7)9(17(14,15)16)5-8(10)11-13;/h2*1-5,12H,(H,14,15,16);/q;;+2/p-2