sodium N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate

Systemtic Name: sodium N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate Openeye Name: sodium N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate CAS Name: sodium N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)sulfamate IUPAC Name: sodium N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)sulfamate Traditional Name: sodium N-mesyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate Formula: C13H11N2NaO8S2 MolecularWeight: 410.35481

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H12N2O8S2.Na/c1-24(18,19)15(25(20,21)22)12-8-7-10(14(16)17)9-13(12)23-11-5-3-2-4-6-11;/h2-9H,1H3,(H,20,21,22);/q;+1/p-1