disodium 4-chloranyl-3-[[4-(sulfonatomethylamino)phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 4-chloranyl-3-[[4-(sulfonatomethylamino)phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 4-chloro-3-[4-(sulfonatomethylamino)phenyl]azo-benzenesulfonate CAS Name: disodium 4-chloro-3-[4-(sulfonatomethylamino)phenyl]azobenzenesulfonate IUPAC Name: disodium 4-chloro-3-[[4-(sulfonatomethylamino)phenyl]diazenyl]benzenesulfonate Traditional Name: disodium 4-chloro-3-[4-(sulfonatomethylamino)phenyl]azo-besylate Formula: C13H10ClN3Na2O6S2 MolecularWeight: 449.79754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C13H12ClN3O6S2.2Na/c14-12-6-5-11(25(21,22)23)7-13(12)17-16-10-3-1-9(2-4-10)15-8-24(18,19)20;;/h1-7,15H,8H2,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2