[(Z)-6,6,6-tris(fluoranyl)-4-iodanyl-1-phenyl-hex-4-en-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-6,6,6-tris(fluoranyl)-4-iodanyl-1-phenyl-hex-4-en-3-yl] 4-methylbenzenesulfonate Openeye Name: [(Z)-4,4,4-trifluoro-2-iodo-1-phenethyl-but-2-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-6,6,6-trifluoro-4-iodo-1-phenylhex-4-en-3-yl] ester IUPAC Name: [(Z)-6,6,6-trifluoro-4-iodo-1-phenylhex-4-en-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-4,4,4-trifluoro-2-iodo-1-phenethyl-but-2-enyl] ester Formula: C19H18F3IO3S MolecularWeight: 510.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC2=CC=CC=C2)C(=CC(F)(F)F)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC2=CC=CC=C2)/C(=C/C(F)(F)F)/I

InChI

InChI=1S/C19H18F3IO3S/c1-14-7-10-16(11-8-14)27(24,25)26-18(17(23)13-19(20,21)22)12-9-15-5-3-2-4-6-15/h2-8,10-11,13,18H,9,12H2,1H3/b17-13-