3-(2-cyclohexyl-1-cyclohexylsulfanyl-ethyl)-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-(2-cyclohexyl-1-cyclohexylsulfanyl-ethyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-(2-cyclohexyl-1-cyclohexylsulfanyl-ethyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[2-cyclohexyl-1-(cyclohexylthio)ethyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-(2-cyclohexyl-1-cyclohexylsulfanylethyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[2-cyclohexyl-1-(cyclohexylthio)ethyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C25H32O3S MolecularWeight: 412.58478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C2=C(OC(=CC2=O)C3=CC=CC=C3)O)SC4CCCCC4

Isomeric SMILES

C1CCC(CC1)CC(C2=C(OC(=CC2=O)C3=CC=CC=C3)O)SC4CCCCC4

InChI

InChI=1S/C25H32O3S/c26-21-17-22(19-12-6-2-7-13-19)28-25(27)24(21)23(16-18-10-4-1-5-11-18)29-20-14-8-3-9-15-20/h2,6-7,12-13,17-18,20,23,27H,1,3-5,8-11,14-16H2