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6-bromanylhexyl 4-nitrobenzoate

6-bromanylhexyl 4-nitrobenzoate

Systemtic Name:6-bromanylhexyl 4-nitrobenzoate
Openeye Name:6-bromohexyl 4-nitrobenzoate
CAS Name:4-nitrobenzoic acid 6-bromohexyl ester
IUPAC Name:6-bromohexyl 4-nitrobenzoate
Traditional Name:4-nitrobenzoic acid 6-bromohexyl ester
Formula: C13H16BrNO4
MolecularWeight: 330.17444
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCCCCBr)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCCCCBr)[N+](=O)[O-]


InChI

InChI=1S/C13H16BrNO4/c14-9-3-1-2-4-10-19-13(16)11-5-7-12(8-6-11)15(17)18/h5-8H,1-4,9-10H2


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