[(3R,5E,6R)-5-[(4-bromophenyl)methylidene]-6-phenyl-oxan-3-yl] methanesulfonate

Systemtic Name: [(3R,5E,6R)-5-[(4-bromophenyl)methylidene]-6-phenyl-oxan-3-yl] methanesulfonate Openeye Name: [(3R,5E,6R)-5-[(4-bromophenyl)methylene]-6-phenyl-tetrahydropyran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(3R,5E,6R)-5-[(4-bromophenyl)methylidene]-6-phenyl-3-oxanyl] ester IUPAC Name: [(3R,5E,6R)-5-[(4-bromophenyl)methylidene]-6-phenyloxan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(3R,5E,6R)-5-(4-bromobenzylidene)-6-phenyl-tetrahydropyran-3-yl] ester Formula: C19H19BrO4S MolecularWeight: 423.32076

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(=CC2=CC=C(C=C2)Br)C(OC1)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)O[C@@H]1C/C(=C\C2=CC=C(C=C2)Br)/[C@@H](OC1)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrO4S/c1-25(21,22)24-18-12-16(11-14-7-9-17(20)10-8-14)19(23-13-18)15-5-3-2-4-6-15/h2-11,18-19H,12-13H2,1H3/b16-11+/t18-,19+/m1/s1