(3-azanyl-4-iodanyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (3-azanyl-4-iodanyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (3-amino-4-iodo-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-amino-4-iodophenyl) ester IUPAC Name: (3-amino-4-iodophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-amino-4-iodo-phenyl) ester Formula: C13H12INO3S MolecularWeight: 389.20875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)I)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)I)N

InChI

InChI=1S/C13H12INO3S/c1-9-2-5-11(6-3-9)19(16,17)18-10-4-7-12(14)13(15)8-10/h2-8H,15H2,1H3