(2-chloranyl-4-nitro-phenyl) 3,4-diethoxybenzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3,4-diethoxybenzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 3,4-diethoxybenzenesulfonate CAS Name: 3,4-diethoxybenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3,4-diethoxybenzenesulfonate Traditional Name: 3,4-diethoxybenzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H16ClNO7S MolecularWeight: 401.81874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC

InChI

InChI=1S/C16H16ClNO7S/c1-3-23-15-8-6-12(10-16(15)24-4-2)26(21,22)25-14-7-5-11(18(19)20)9-13(14)17/h5-10H,3-4H2,1-2H3