5-(2-butan-2-ylphenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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