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

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-(2-hydroxyphenyl)-2-iodanyl-benzenesulfonate Openeye Name: phenyl 3-(1-formamido-3-oxo-propyl)-6-(2-hydroxyphenyl)-2-iodo-benzenesulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-6-(2-hydroxyphenyl)-2-iodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(1-formamido-3-oxopropyl)-6-(2-hydroxyphenyl)-2-iodobenzenesulfonate Traditional Name: 3-(1-formamido-3-keto-propyl)-6-(2-hydroxyphenyl)-2-iodo-benzenesulfonic acid phenyl ester Formula: C22H18INO6S MolecularWeight: 551.35089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2I)C(CC=O)NC=O)C3=CC=CC=C3O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2I)C(CC=O)NC=O)C3=CC=CC=C3O

InChI

InChI=1S/C22H18INO6S/c23-21-18(19(12-13-25)24-14-26)11-10-17(16-8-4-5-9-20(16)27)22(21)31(28,29)30-15-6-2-1-3-7-15/h1-11,13-14,19,27H,12H2,(H,24,26)