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4-chloranyl-3-nitro-benzenesulfonate; tetrabutylazanium

4-chloranyl-3-nitro-benzenesulfonate; tetrabutylazanium

Systemtic Name:4-chloranyl-3-nitro-benzenesulfonate; tetrabutylazanium
Openeye Name:4-chloro-3-nitro-benzenesulfonate; tetrabutylammonium
CAS Name:4-chloro-3-nitrobenzenesulfonate; tetrabutylammonium
IUPAC Name:4-chloro-3-nitrobenzenesulfonate; tetrabutylazanium
Traditional Name:4-chloro-3-nitro-besylate; tetrabutylammonium
Formula: C22H39ClN2O5S
MolecularWeight: 479.07346
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl


Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl


InChI

InChI=1S/C16H36N.C6H4ClNO5S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h5-16H2,1-4H3;1-3H,(H,11,12,13)/q+1;/p-1


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