[4-[(E)-[(4-chlorophenyl)carbonylhydrazinylidene]methyl]-2-iodanyl-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[(4-chlorophenyl)carbonylhydrazinylidene]methyl]-2-iodanyl-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(4-chlorobenzoyl)hydrazono]methyl]-2-iodo-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[(4-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-iodo-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[(4-chlorobenzoyl)hydrazono]methyl]-2-iodo-6-methoxy-phenyl] ester Formula: C22H18ClIN2O5S MolecularWeight: 584.81119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)C=NNC(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)/C=N/NC(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C22H18ClIN2O5S/c1-14-3-9-18(10-4-14)32(28,29)31-21-19(24)11-15(12-20(21)30-2)13-25-26-22(27)16-5-7-17(23)8-6-16/h3-13H,1-2H3,(H,26,27)/b25-13+