3-azanyl-4-sulfo-benzenesulfinate

Systemtic Name: 3-azanyl-4-sulfo-benzenesulfinate Openeye Name: 3-amino-4-sulfo-benzenesulfinate CAS Name: 3-amino-4-sulfobenzenesulfinate IUPAC Name: 3-amino-4-sulfobenzenesulfinate Traditional Name: 3-amino-4-sulfo-benzenesulfinate Formula: C6H6NO5S2- MolecularWeight: 236.24554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)[O-])N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)[O-])N)S(=O)(=O)O

InChI

InChI=1S/C6H7NO5S2/c7-5-3-4(13(8)9)1-2-6(5)14(10,11)12/h1-3H,7H2,(H,8,9)(H,10,11,12)/p-1