phenyl 2-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-3-oxidanyl-benzenesulfonate

Systemtic Name: phenyl 2-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-3-oxidanyl-benzenesulfonate Openeye Name: phenyl 2-bromo-4-(1-formamido-3-oxo-propyl)-3-hydroxy-benzenesulfonate CAS Name: 2-bromo-4-(1-formamido-3-oxopropyl)-3-hydroxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-bromo-4-(1-formamido-3-oxopropyl)-3-hydroxybenzenesulfonate Traditional Name: 2-bromo-4-(1-formamido-3-keto-propyl)-3-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(=C(C=C2)C(CC=O)NC=O)O)Br

Isomeric SMILES

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

InChI

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