sodium 4-azanyl-2-chloranyl-5-methyl-benzenesulfonate

Systemtic Name: sodium 4-azanyl-2-chloranyl-5-methyl-benzenesulfonate Openeye Name: sodium 4-amino-2-chloro-5-methyl-benzenesulfonate CAS Name: sodium 4-amino-2-chloro-5-methylbenzenesulfonate IUPAC Name: sodium 4-amino-2-chloro-5-methylbenzenesulfonate Traditional Name: sodium 4-amino-2-chloro-5-methyl-besylate Formula: C7H7ClNNaO3S MolecularWeight: 243.64315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H8ClNO3S.Na/c1-4-2-7(13(10,11)12)5(8)3-6(4)9;/h2-3H,9H2,1H3,(H,10,11,12);/q;+1/p-1