4-butyl-3-nitro-benzenesulfonic acid

Systemtic Name: 4-butyl-3-nitro-benzenesulfonic acid Openeye Name: 4-butyl-3-nitro-benzenesulfonic acid CAS Name: 4-butyl-3-nitrobenzenesulfonic acid IUPAC Name: 4-butyl-3-nitrobenzenesulfonic acid Traditional Name: 4-butyl-3-nitro-besylic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO5S/c1-2-3-4-8-5-6-9(17(14,15)16)7-10(8)11(12)13/h5-7H,2-4H2,1H3,(H,14,15,16)