5-chloranyl-4-ethoxy-2-nitro-benzenesulfonic acid

Systemtic Name: 5-chloranyl-4-ethoxy-2-nitro-benzenesulfonic acid Openeye Name: 5-chloro-4-ethoxy-2-nitro-benzenesulfonic acid CAS Name: 5-chloro-4-ethoxy-2-nitrobenzenesulfonic acid IUPAC Name: 5-chloro-4-ethoxy-2-nitrobenzenesulfonic acid Traditional Name: 5-chloro-4-ethoxy-2-nitro-besylic acid Formula: C8H8ClNO6S MolecularWeight: 281.67022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])S(=O)(=O)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])S(=O)(=O)O)Cl

InChI

InChI=1S/C8H8ClNO6S/c1-2-16-7-4-6(10(11)12)8(3-5(7)9)17(13,14)15/h3-4H,2H2,1H3,(H,13,14,15)