[3-[2-(3-methoxyphenyl)ethynyl]-3-oxidanyl-cyclohexyl] hydrogen carbonate

Systemtic Name: [3-[2-(3-methoxyphenyl)ethynyl]-3-oxidanyl-cyclohexyl] hydrogen carbonate Openeye Name: [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl] hydrogen carbonate CAS Name: carbonic acid [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl] ester IUPAC Name: [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl] hydrogen carbonate Traditional Name: carbonic acid [3-hydroxy-3-[2-(3-methoxyphenyl)ethynyl]cyclohexyl] ester Formula: C16H18O5 MolecularWeight: 290.31112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C#CC2(CCCC(C2)OC(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C#CC2(CCCC(C2)OC(=O)O)O

InChI

InChI=1S/C16H18O5/c1-20-13-5-2-4-12(10-13)7-9-16(19)8-3-6-14(11-16)21-15(17)18/h2,4-5,10,14,19H,3,6,8,11H2,1H3,(H,17,18)