6-[4-(cyclohexylmethoxy)phenyl]-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one

Systemtic Name: 6-[4-(cyclohexylmethoxy)phenyl]-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 6-[4-(cyclohexylmethoxy)phenyl]-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 6-[4-(cyclohexylmethoxy)phenyl]-2-hydroxy-3-(phenethylthio)-4-pyranone IUPAC Name: 6-[4-(cyclohexylmethoxy)phenyl]-2-hydroxy-3-phenethylsulfanylpyran-4-one Traditional Name: 6-[4-(cyclohexylmethoxy)phenyl]-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C26H28O4S MolecularWeight: 436.56312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC=C(C=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)COC2=CC=C(C=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

InChI

InChI=1S/C26H28O4S/c27-23-17-24(30-26(28)25(23)31-16-15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)29-18-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,17,20,28H,2,5-6,9-10,15-16,18H2