2-hexoxy-4-nitro-benzenesulfonic acid

Systemtic Name: 2-hexoxy-4-nitro-benzenesulfonic acid Openeye Name: 2-hexoxy-4-nitro-benzenesulfonic acid CAS Name: 2-hexoxy-4-nitrobenzenesulfonic acid IUPAC Name: 2-hexoxy-4-nitrobenzenesulfonic acid Traditional Name: 2-hexoxy-4-nitro-besylic acid Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H17NO6S/c1-2-3-4-5-8-19-11-9-10(13(14)15)6-7-12(11)20(16,17)18/h6-7,9H,2-5,8H2,1H3,(H,16,17,18)