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

Systemtic Name: [(1S,5S)-5-ethynyl-4-methyl-cyclohex-3-en-1-yl]oxymethylbenzene Openeye Name: [(1S,5S)-5-ethynyl-4-methyl-cyclohex-3-en-1-yl]oxymethylbenzene CAS Name: [(1S,5S)-5-ethynyl-4-methyl-1-cyclohex-3-enyl]oxymethylbenzene IUPAC Name: [(1S,5S)-5-ethynyl-4-methylcyclohex-3-en-1-yl]oxymethylbenzene Traditional Name: [(1S,5S)-5-ethynyl-4-methyl-cyclohex-3-en-1-yl]oxymethylbenzene Formula: C16H18O MolecularWeight: 226.31352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1C#C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC[C@@H](C[C@H]1C#C)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18O/c1-3-15-11-16(10-9-13(15)2)17-12-14-7-5-4-6-8-14/h1,4-9,15-16H,10-12H2,2H3/t15-,16+/m1/s1