2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl 4-nitrobenzenesulfonate

Systemtic Name: 2-(6-bromanyl-1,3-benzodioxol-5-yl)ethyl 4-nitrobenzenesulfonate Openeye Name: 2-(6-bromo-1,3-benzodioxol-5-yl)ethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-(6-bromo-1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: 2-(6-bromo-1,3-benzodioxol-5-yl)ethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-(6-bromo-1,3-benzodioxol-5-yl)ethyl ester Formula: C15H12BrNO7S MolecularWeight: 430.22728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO7S/c16-13-8-15-14(22-9-23-15)7-10(13)5-6-24-25(20,21)12-3-1-11(2-4-12)17(18)19/h1-4,7-8H,5-6,9H2