2-oxidanyl-6-(1-phenethylcyclobutyl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one

Systemtic Name: 2-oxidanyl-6-(1-phenethylcyclobutyl)-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropylphenyl)sulfanyl-6-(1-phenethylcyclobutyl)pyran-4-one CAS Name: 2-hydroxy-6-(1-phenethylcyclobutyl)-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 2-hydroxy-6-(1-phenethylcyclobutyl)-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 2-hydroxy-3-(o-cumenylthio)-6-(1-phenethylcyclobutyl)pyran-4-one Formula: C26H28O3S MolecularWeight: 420.56372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3(CCC3)CCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3(CCC3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C26H28O3S/c1-18(2)20-11-6-7-12-22(20)30-24-21(27)17-23(29-25(24)28)26(14-8-15-26)16-13-19-9-4-3-5-10-19/h3-7,9-12,17-18,28H,8,13-16H2,1-2H3