phenyl 3-bromanyl-6-(1-formamido-3-oxidanylidene-propyl)-2-oxidanyl-benzenesulfonate

Systemtic Name: phenyl 3-bromanyl-6-(1-formamido-3-oxidanylidene-propyl)-2-oxidanyl-benzenesulfonate Openeye Name: phenyl 3-bromo-6-(1-formamido-3-oxo-propyl)-2-hydroxy-benzenesulfonate CAS Name: 3-bromo-6-(1-formamido-3-oxopropyl)-2-hydroxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-bromo-6-(1-formamido-3-oxopropyl)-2-hydroxybenzenesulfonate Traditional Name: 3-bromo-6-(1-formamido-3-keto-propyl)-2-hydroxy-benzenesulfonic acid phenyl ester Formula: C16H14BrNO6S MolecularWeight: 428.25446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2O)Br)C(CC=O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2O)Br)C(CC=O)NC=O

InChI

InChI=1S/C16H14BrNO6S/c17-13-7-6-12(14(8-9-19)18-10-20)16(15(13)21)25(22,23)24-11-4-2-1-3-5-11/h1-7,9-10,14,21H,8H2,(H,18,20)