2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-4-one

Systemtic Name: 2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-4-one Openeye Name: 6-hydroxy-2-isopentyl-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-4-one CAS Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-[(2-phenylphenyl)methylthio]-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-[(2-phenylphenyl)methylsulfanyl]-3H-pyran-4-one Traditional Name: 6-hydroxy-2-isoamyl-2-phenyl-5-[(2-phenylbenzyl)thio]-3H-pyran-4-one Formula: C29H30O3S MolecularWeight: 458.6117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30O3S/c1-21(2)17-18-29(24-14-7-4-8-15-24)19-26(30)27(28(31)32-29)33-20-23-13-9-10-16-25(23)22-11-5-3-6-12-22/h3-16,21,31H,17-20H2,1-2H3