[(3Z,5E)-1,1-bis(fluoranyl)-2-oxidanylidene-6-phenyl-hexa-3,5-dien-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3Z,5E)-1,1-bis(fluoranyl)-2-oxidanylidene-6-phenyl-hexa-3,5-dien-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1Z,3E)-1-(2,2-difluoroacetyl)-4-phenyl-buta-1,3-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3Z,5E)-1,1-difluoro-2-oxo-6-phenylhexa-3,5-dien-3-yl] ester IUPAC Name: [(3Z,5E)-1,1-difluoro-2-oxo-6-phenylhexa-3,5-dien-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1Z,3E)-1-(2,2-difluoroacetyl)-4-phenyl-buta-1,3-dienyl] ester Formula: C19H16F2O4S MolecularWeight: 378.389746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CC=CC2=CC=CC=C2)C(=O)C(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H16F2O4S/c1-14-10-12-16(13-11-14)26(23,24)25-17(18(22)19(20)21)9-5-8-15-6-3-2-4-7-15/h2-13,19H,1H3/b8-5+,17-9-