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

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-iodanyl-benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-2-(2-hydroxyphenyl)-3-iodo-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)-3-iodobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)-3-iodobenzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-2-(2-hydroxyphenyl)-3-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(=C(C=C2)C(CC=O)NC=O)I)C3=CC=CC=C3O

Isomeric SMILES

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

InChI

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