3-acetamido-5-nitro-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-acetamido-5-nitro-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-acetamido-4-hydroxy-5-nitro-benzenesulfonic acid CAS Name: 3-acetamido-4-hydroxy-5-nitrobenzenesulfonic acid IUPAC Name: 3-acetamido-4-hydroxy-5-nitrobenzenesulfonic acid Traditional Name: 3-acetamido-4-hydroxy-5-nitro-besylic acid Formula: C8H8N2O7S MolecularWeight: 276.22332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C8H8N2O7S/c1-4(11)9-6-2-5(18(15,16)17)3-7(8(6)12)10(13)14/h2-3,12H,1H3,(H,9,11)(H,15,16,17)