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

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2-iodanyl-3-methoxy-benzenesulfonate Openeye Name: phenyl 6-(1-formamido-3-oxo-propyl)-2-iodo-3-methoxy-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-2-iodo-3-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(1-formamido-3-oxopropyl)-2-iodo-3-methoxybenzenesulfonate Traditional Name: 6-(1-formamido-3-keto-propyl)-2-iodo-3-methoxy-benzenesulfonic acid phenyl ester Formula: C17H16INO6S MolecularWeight: 489.28151

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)I

Isomeric SMILES

COC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)I

InChI

InChI=1S/C17H16INO6S/c1-24-15-8-7-13(14(9-10-20)19-11-21)17(16(15)18)26(22,23)25-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3,(H,19,21)