(5-azanyl-4-iodanyl-2-methyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (5-azanyl-4-iodanyl-2-methyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (5-amino-4-iodo-2-methyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-amino-4-iodo-2-methylphenyl) ester IUPAC Name: (5-amino-4-iodo-2-methylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-amino-4-iodo-2-methyl-phenyl) ester Formula: C14H14INO3S MolecularWeight: 403.23533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C)I)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2C)I)N

InChI

InChI=1S/C14H14INO3S/c1-9-3-5-11(6-4-9)20(17,18)19-14-8-13(16)12(15)7-10(14)2/h3-8H,16H2,1-2H3