(4-acetamidonaphthalen-1-yl) 2,5-bis(bromanyl)benzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 2,5-bis(bromanyl)benzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 2,5-dibromobenzenesulfonate CAS Name: 2,5-dibromobenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 2,5-dibromobenzenesulfonate Traditional Name: 2,5-dibromobenzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C18H13Br2NO4S MolecularWeight: 499.17312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=C(C=CC(=C3)Br)Br

InChI

InChI=1S/C18H13Br2NO4S/c1-11(22)21-16-8-9-17(14-5-3-2-4-13(14)16)25-26(23,24)18-10-12(19)6-7-15(18)20/h2-10H,1H3,(H,21,22)