sodium 5-azanyl-2-(4-chloranylphenoxy)benzenesulfonate

Systemtic Name: sodium 5-azanyl-2-(4-chloranylphenoxy)benzenesulfonate Openeye Name: sodium 5-amino-2-(4-chlorophenoxy)benzenesulfonate CAS Name: sodium 5-amino-2-(4-chlorophenoxy)benzenesulfonate IUPAC Name: sodium 5-amino-2-(4-chlorophenoxy)benzenesulfonate Traditional Name: sodium 5-amino-2-(4-chlorophenoxy)besylate Formula: C12H9ClNNaO4S MolecularWeight: 321.71193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=C(C=C2)N)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)N)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C12H10ClNO4S.Na/c13-8-1-4-10(5-2-8)18-11-6-3-9(14)7-12(11)19(15,16)17;/h1-7H,14H2,(H,15,16,17);/q;+1/p-1