1-(2-nitro-5-oxidanyl-phenyl)ethanesulfonic acid

Systemtic Name: 1-(2-nitro-5-oxidanyl-phenyl)ethanesulfonic acid Openeye Name: 1-(5-hydroxy-2-nitro-phenyl)ethanesulfonic acid CAS Name: 1-(5-hydroxy-2-nitrophenyl)ethanesulfonic acid IUPAC Name: 1-(5-hydroxy-2-nitrophenyl)ethanesulfonic acid Traditional Name: 1-(5-hydroxy-2-nitro-phenyl)ethanesulfonic acid Formula: C8H9NO6S MolecularWeight: 247.22516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO6S/c1-5(16(13,14)15)7-4-6(10)2-3-8(7)9(11)12/h2-5,10H,1H3,(H,13,14,15)