sodium 5-azanyl-2-(4-chloranyl-3-methyl-phenoxy)benzenesulfonate

Systemtic Name: sodium 5-azanyl-2-(4-chloranyl-3-methyl-phenoxy)benzenesulfonate Openeye Name: sodium 5-amino-2-(4-chloro-3-methyl-phenoxy)benzenesulfonate CAS Name: sodium 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonate IUPAC Name: sodium 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonate Traditional Name: sodium 5-amino-2-(4-chloro-3-methyl-phenoxy)besylate Formula: C13H11ClNNaO4S MolecularWeight: 335.73851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C13H12ClNO4S.Na/c1-8-6-10(3-4-11(8)14)19-12-5-2-9(15)7-13(12)20(16,17)18;/h2-7H,15H2,1H3,(H,16,17,18);/q;+1/p-1