4-chloranylbutyl 2-nitrobenzenesulfonate

Systemtic Name: 4-chloranylbutyl 2-nitrobenzenesulfonate Openeye Name: 4-chlorobutyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 4-chlorobutyl ester Formula: C10H12ClNO5S MolecularWeight: 293.72398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClNO5S/c11-7-3-4-8-17-18(15,16)10-6-2-1-5-9(10)12(13)14/h1-2,5-6H,3-4,7-8H2