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

Systemtic Name: sodium 5-azanyl-2-methyl-4-sulfo-benzenesulfonate Openeye Name: sodium 5-amino-2-methyl-4-sulfo-benzenesulfonate CAS Name: sodium 5-amino-2-methyl-4-sulfobenzenesulfonate IUPAC Name: sodium 5-amino-2-methyl-4-sulfobenzenesulfonate Traditional Name: sodium 5-amino-2-methyl-4-sulfo-besylate Formula: C7H8NNaO6S2 MolecularWeight: 289.26129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C7H9NO6S2.Na/c1-4-2-7(16(12,13)14)5(8)3-6(4)15(9,10)11;/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14);/q;+1/p-1