[(E)-2-iodanyl-1-phenyl-prop-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-2-iodanyl-1-phenyl-prop-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-iodo-1-phenyl-prop-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-iodo-1-phenylprop-1-enyl] ester IUPAC Name: [(E)-2-iodo-1-phenylprop-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-iodo-1-phenyl-prop-1-enyl] ester Formula: C16H15IO3S MolecularWeight: 414.25797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15IO3S/c1-12-8-10-15(11-9-12)21(18,19)20-16(13(2)17)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-13+