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

Systemtic Name: 3-(2-cyclohexyl-1-phenylsulfanyl-ethyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-(2-cyclohexyl-1-phenylsulfanyl-ethyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[2-cyclohexyl-1-(phenylthio)ethyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-(2-cyclohexyl-1-phenylsulfanylethyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[2-cyclohexyl-1-(phenylthio)ethyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C2=C(OC(=CC2=O)C3=CC=CC=C3)O)SC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CC(C2=C(OC(=CC2=O)C3=CC=CC=C3)O)SC4=CC=CC=C4

InChI

InChI=1S/C25H26O3S/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/h2-3,6-9,12-15,17-18,23,27H,1,4-5,10-11,16H2