3-(6-bromanyl-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate

Systemtic Name: 3-(6-bromanyl-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate Openeye Name: 3-(6-bromo-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 3-(6-bromo-1,3-benzodioxol-5-yl)propyl ester IUPAC Name: 3-(6-bromo-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 3-(6-bromo-1,3-benzodioxol-5-yl)propyl ester Formula: C16H14BrNO7S MolecularWeight: 444.25386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CCCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrNO7S/c17-14-9-16-15(23-10-24-16)8-11(14)2-1-7-25-26(21,22)13-5-3-12(4-6-13)18(19)20/h3-6,8-9H,1-2,7,10H2