2-butyl-6-oxidanyl-5-phenethylsulfanyl-2-(4-phenylphenyl)-3H-pyran-4-one

Systemtic Name: 2-butyl-6-oxidanyl-5-phenethylsulfanyl-2-(4-phenylphenyl)-3H-pyran-4-one Openeye Name: 2-butyl-6-hydroxy-5-phenethylsulfanyl-2-(4-phenylphenyl)-3H-pyran-4-one CAS Name: 2-butyl-6-hydroxy-5-(phenethylthio)-2-(4-phenylphenyl)-3H-pyran-4-one IUPAC Name: 2-butyl-6-hydroxy-5-phenethylsulfanyl-2-(4-phenylphenyl)-3H-pyran-4-one Traditional Name: 2-butyl-6-hydroxy-5-(phenethylthio)-2-(4-phenylphenyl)-3H-pyran-4-one Formula: C29H30O3S MolecularWeight: 458.6117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

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