3-(1-cyclohexylsulfanyl-3,3-dimethyl-butyl)-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-(1-cyclohexylsulfanyl-3,3-dimethyl-butyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-(1-cyclohexylsulfanyl-3,3-dimethyl-butyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[1-(cyclohexylthio)-3,3-dimethylbutyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-(1-cyclohexylsulfanyl-3,3-dimethylbutyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[1-(cyclohexylthio)-3,3-dimethyl-butyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C1=C(OC(=CC1=O)C2=CC=CC=C2)O)SC3CCCCC3

Isomeric SMILES

CC(C)(C)CC(C1=C(OC(=CC1=O)C2=CC=CC=C2)O)SC3CCCCC3

InChI

InChI=1S/C23H30O3S/c1-23(2,3)15-20(27-17-12-8-5-9-13-17)21-18(24)14-19(26-22(21)25)16-10-6-4-7-11-16/h4,6-7,10-11,14,17,20,25H,5,8-9,12-13,15H2,1-3H3