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

Systemtic Name: [(1S,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] phenyl carbonate Openeye Name: [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] phenyl carbonate CAS Name: carbonic acid [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl] phenyl ester IUPAC Name: [(1S,5R)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] phenyl carbonate Traditional Name: carbonic acid [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] phenyl ester Formula: C16H16O4 MolecularWeight: 272.29584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1O)OC(=O)OC2=CC=CC=C2)C#C

Isomeric SMILES

CC1=C(C[C@@H](C[C@H]1O)OC(=O)OC2=CC=CC=C2)C#C

InChI

InChI=1S/C16H16O4/c1-3-12-9-14(10-15(17)11(12)2)20-16(18)19-13-7-5-4-6-8-13/h1,4-8,14-15,17H,9-10H2,2H3/t14-,15+/m0/s1