[(E)-2-iodanyl-1,2-diphenyl-ethenyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-2-iodanyl-1,2-diphenyl-ethenyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-iodo-1,2-diphenyl-vinyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-iodo-1,2-diphenylethenyl] ester IUPAC Name: [(E)-2-iodo-1,2-diphenylethenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-iodo-1,2-diphenyl-vinyl] ester Formula: C21H17IO3S MolecularWeight: 476.32735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=C(C2=CC=CC=C2)I)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(\C2=CC=CC=C2)/I)/C3=CC=CC=C3

InChI

InChI=1S/C21H17IO3S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15H,1H3/b21-20+