sodium 2-azanyl-4,5-dimethyl-benzenesulfonate

Systemtic Name: sodium 2-azanyl-4,5-dimethyl-benzenesulfonate Openeye Name: sodium 2-amino-4,5-dimethyl-benzenesulfonate CAS Name: sodium 2-amino-4,5-dimethylbenzenesulfonate IUPAC Name: sodium 2-amino-4,5-dimethylbenzenesulfonate Traditional Name: sodium 2-amino-4,5-dimethyl-besylate Formula: C8H10NNaO3S MolecularWeight: 223.22467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C8H11NO3S.Na/c1-5-3-7(9)8(4-6(5)2)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1