3-[4-(3-bromanylpropoxy)phenyl]sulfonyl-2-butyl-5-nitro-1-benzofuran

Systemtic Name: 3-[4-(3-bromanylpropoxy)phenyl]sulfonyl-2-butyl-5-nitro-1-benzofuran Openeye Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butyl-5-nitro-benzofuran CAS Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butyl-5-nitrobenzofuran IUPAC Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butyl-5-nitro-1-benzofuran Traditional Name: 3-[4-(3-bromopropoxy)phenyl]sulfonyl-2-butyl-5-nitro-benzofuran Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)OCCCBr

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)OCCCBr

InChI

InChI=1S/C21H22BrNO6S/c1-2-3-5-20-21(18-14-15(23(24)25)6-11-19(18)29-20)30(26,27)17-9-7-16(8-10-17)28-13-4-12-22/h6-11,14H,2-5,12-13H2,1H3