[2-[(E)-1-(dimethylamino)-2-(2-iodanylphenyl)ethenyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-1-(dimethylamino)-2-(2-iodanylphenyl)ethenyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-1-(dimethylamino)-2-(2-iodophenyl)vinyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-1-(dimethylamino)-2-(2-iodophenyl)ethenyl]phenyl] ester IUPAC Name: [2-[(E)-1-(dimethylamino)-2-(2-iodophenyl)ethenyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-1-(dimethylamino)-2-(2-iodophenyl)vinyl]phenyl] ester Formula: C23H22INO3S MolecularWeight: 519.39515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=CC3=CC=CC=C3I)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C(=C\C3=CC=CC=C3I)/N(C)C

InChI

InChI=1S/C23H22INO3S/c1-17-12-14-19(15-13-17)29(26,27)28-23-11-7-5-9-20(23)22(25(2)3)16-18-8-4-6-10-21(18)24/h4-16H,1-3H3/b22-16+