4-azanyl-2-(2-sulfanylethanoyl)benzenesulfonic acid

Systemtic Name: 4-azanyl-2-(2-sulfanylethanoyl)benzenesulfonic acid Openeye Name: 4-amino-2-(2-sulfanylacetyl)benzenesulfonic acid CAS Name: 4-amino-2-(2-mercapto-1-oxoethyl)benzenesulfonic acid IUPAC Name: 4-amino-2-(2-sulfanylacetyl)benzenesulfonic acid Traditional Name: 4-amino-2-(2-mercaptoacetyl)besylic acid Formula: C8H9NO4S2 MolecularWeight: 247.29136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)CS)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)CS)S(=O)(=O)O

InChI

InChI=1S/C8H9NO4S2/c9-5-1-2-8(15(11,12)13)6(3-5)7(10)4-14/h1-3,14H,4,9H2,(H,11,12,13)