butyl 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: butyl 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: butyl 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid butyl ester IUPAC Name: butyl 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid butyl ester Formula: C10H12ClNO5S MolecularWeight: 293.72398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H12ClNO5S/c1-2-3-6-17-18(15,16)8-4-5-9(11)10(7-8)12(13)14/h4-5,7H,2-3,6H2,1H3