sodium 2-azanyl-5-chloranyl-3-phenyl-benzenesulfonate

Systemtic Name: sodium 2-azanyl-5-chloranyl-3-phenyl-benzenesulfonate Openeye Name: sodium 2-amino-5-chloro-3-phenyl-benzenesulfonate CAS Name: sodium 2-amino-5-chloro-3-phenylbenzenesulfonate IUPAC Name: sodium 2-amino-5-chloro-3-phenylbenzenesulfonate Traditional Name: sodium 2-amino-5-chloro-3-phenyl-besylate Formula: C12H9ClNNaO3S MolecularWeight: 305.71253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=C2N)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2N)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C12H10ClNO3S.Na/c13-9-6-10(8-4-2-1-3-5-8)12(14)11(7-9)18(15,16)17;/h1-7H,14H2,(H,15,16,17);/q;+1/p-1