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

Systemtic Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-(3-methylbutyl)-6-oxidanyl-2-phenethyl-3H-pyran-4-one Openeye Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-isopentyl-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-(3-methylbutyl)-2-phenethyl-3H-pyran-4-one IUPAC Name: 5-(2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-(3-methylbutyl)-2-phenethyl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isoamyl-2-phenethyl-3H-pyran-4-one Formula: C29H38O3S MolecularWeight: 466.67522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)CCC(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)CCC(C)C)O

InChI

InChI=1S/C29H38O3S/c1-20(2)14-16-29(17-15-22-10-8-7-9-11-22)19-24(30)26(27(31)32-29)33-25-18-21(3)12-13-23(25)28(4,5)6/h7-13,18,20,31H,14-17,19H2,1-6H3