6-(1,3-benzodioxol-5-yl)-3-(2-tert-butylphenyl)sulfanyl-2-oxidanyl-pyran-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-3-(2-tert-butylphenyl)sulfanyl-2-oxidanyl-pyran-4-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-3-(2-tert-butylphenyl)sulfanyl-2-hydroxy-pyran-4-one CAS Name: 6-(1,3-benzodioxol-5-yl)-3-[(2-tert-butylphenyl)thio]-2-hydroxy-4-pyranone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-3-(2-tert-butylphenyl)sulfanyl-2-hydroxypyran-4-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-3-[(2-tert-butylphenyl)thio]-2-hydroxy-pyran-4-one Formula: C22H20O5S MolecularWeight: 396.4562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H20O5S/c1-22(2,3)14-6-4-5-7-19(14)28-20-15(23)11-17(27-21(20)24)13-8-9-16-18(10-13)26-12-25-16/h4-11,24H,12H2,1-3H3