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1-(methylamino)butyl 4-nitrobenzenesulfonate

1-(methylamino)butyl 4-nitrobenzenesulfonate

Systemtic Name:1-(methylamino)butyl 4-nitrobenzenesulfonate
Openeye Name:1-(methylamino)butyl 4-nitrobenzenesulfonate
CAS Name:4-nitrobenzenesulfonic acid 1-(methylamino)butyl ester
IUPAC Name:1-(methylamino)butyl 4-nitrobenzenesulfonate
Traditional Name:4-nitrobenzenesulfonic acid 1-(methylamino)butyl ester
Formula: C11H16N2O5S
MolecularWeight: 288.32014
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]


Isomeric SMILES

CCCC(NC)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]


InChI

InChI=1S/C11H16N2O5S/c1-3-4-11(12-2)18-19(16,17)10-7-5-9(6-8-10)13(14)15/h5-8,11-12H,3-4H2,1-2H3


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