phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2,3-bis(iodanyl)benzenesulfonate

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2,3-bis(iodanyl)benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-2,3-diiodo-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2,3-diiodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-2,3-diiodobenzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-2,3-diiodo-benzenesulfonic acid phenyl ester Formula: C16H13I2NO5S MolecularWeight: 585.15206

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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)I)I

Isomeric SMILES

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

InChI

InChI=1S/C16H13I2NO5S/c17-15-12(13(8-9-20)19-10-21)6-7-14(16(15)18)25(22,23)24-11-4-2-1-3-5-11/h1-7,9-10,13H,8H2,(H,19,21)