[(1S,5S)-3-ethynyl-4-methyl-5-phenyl-cyclohex-3-en-1-yl] phenyl carbonate

Systemtic Name: [(1S,5S)-3-ethynyl-4-methyl-5-phenyl-cyclohex-3-en-1-yl] phenyl carbonate Openeye Name: [(1S,5S)-3-ethynyl-4-methyl-5-phenyl-cyclohex-3-en-1-yl] phenyl carbonate CAS Name: carbonic acid [(1S,5S)-3-ethynyl-4-methyl-5-phenyl-1-cyclohex-3-enyl] phenyl ester IUPAC Name: [(1S,5S)-3-ethynyl-4-methyl-5-phenylcyclohex-3-en-1-yl] phenyl carbonate Traditional Name: carbonic acid [(1S,5S)-3-ethynyl-4-methyl-5-phenyl-cyclohex-3-en-1-yl] phenyl ester Formula: C22H20O3 MolecularWeight: 332.3924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1C2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)C#C

Isomeric SMILES

CC1=C(C[C@H](C[C@H]1C2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)C#C

InChI

InChI=1S/C22H20O3/c1-3-17-14-20(25-22(23)24-19-12-8-5-9-13-19)15-21(16(17)2)18-10-6-4-7-11-18/h1,4-13,20-21H,14-15H2,2H3/t20-,21-/m1/s1