disodium N-(2-chloranyl-4-fluoranyl-5-oxidanyl-phenyl)-N-(sulfonatoamino)sulfamate

Systemtic Name: disodium N-(2-chloranyl-4-fluoranyl-5-oxidanyl-phenyl)-N-(sulfonatoamino)sulfamate Openeye Name: disodium N-(2-chloro-4-fluoro-5-hydroxy-phenyl)-N-(sulfonatoamino)sulfamate CAS Name: disodium N-(2-chloro-4-fluoro-5-hydroxyphenyl)-N-(sulfonatoamino)sulfamate IUPAC Name: disodium N-(2-chloro-4-fluoro-5-hydroxyphenyl)-N-(sulfonatoamino)sulfamate Traditional Name: disodium N-(2-chloro-4-fluoro-5-hydroxy-phenyl)-N-(sulfonatoamino)sulfamate Formula: C6H4ClFN2Na2O7S2 MolecularWeight: 380.666103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1O)F)Cl)N(NS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=C(C(=CC(=C1O)F)Cl)N(NS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C6H6ClFN2O7S2.2Na/c7-3-1-4(8)6(11)2-5(3)10(19(15,16)17)9-18(12,13)14;;/h1-2,9,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2