2-(2-butoxyethoxy)-5-nitro-benzenesulfonic acid

Systemtic Name: 2-(2-butoxyethoxy)-5-nitro-benzenesulfonic acid Openeye Name: 2-(2-butoxyethoxy)-5-nitro-benzenesulfonic acid CAS Name: 2-(2-butoxyethoxy)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(2-butoxyethoxy)-5-nitrobenzenesulfonic acid Traditional Name: 2-(2-butoxyethoxy)-5-nitro-besylic acid Formula: C12H17NO7S MolecularWeight: 319.33088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCOCCOC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C12H17NO7S/c1-2-3-6-19-7-8-20-11-5-4-10(13(14)15)9-12(11)21(16,17)18/h4-5,9H,2-3,6-8H2,1H3,(H,16,17,18)