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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2C3=CC=CC=C3O)C(CC=O)NC=O)I

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2C3=CC=CC=C3O)C(CC=O)NC=O)I

InChI

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