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

Systemtic Name: phenyl 2-bromanyl-6-(1-formamido-3-oxidanylidene-propyl)-3-iodanyl-benzenesulfonate Openeye Name: phenyl 2-bromo-6-(1-formamido-3-oxo-propyl)-3-iodo-benzenesulfonate CAS Name: 2-bromo-6-(1-formamido-3-oxopropyl)-3-iodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-bromo-6-(1-formamido-3-oxopropyl)-3-iodobenzenesulfonate Traditional Name: 2-bromo-6-(1-formamido-3-keto-propyl)-3-iodo-benzenesulfonic acid phenyl ester Formula: C16H13BrINO5S MolecularWeight: 538.15159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2Br)I)C(CC=O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2Br)I)C(CC=O)NC=O

InChI

InChI=1S/C16H13BrINO5S/c17-15-13(18)7-6-12(14(8-9-20)19-10-21)16(15)25(22,23)24-11-4-2-1-3-5-11/h1-7,9-10,14H,8H2,(H,19,21)