5-(2-tert-butylphenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-(2-tert-butylphenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-(2-tert-butylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[(2-tert-butylphenyl)thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one IUPAC Name: 5-(2-tert-butylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butylphenyl)thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Formula: C29H30O3S MolecularWeight: 458.6117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30O3S/c1-28(2,3)23-16-10-11-17-25(23)33-26-24(30)20-29(32-27(26)31,22-14-8-5-9-15-22)19-18-21-12-6-4-7-13-21/h4-17,31H,18-20H2,1-3H3