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

Systemtic Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-6-oxidanyl-2-phenethyl-3H-pyran-4-one Openeye Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-tert-butyl-5-methylphenyl)thio]-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one IUPAC Name: 5-(2-tert-butyl-5-methylphenyl)sulfanyl-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-phenyl)thio]-2-cyclopentyl-6-hydroxy-2-phenethyl-3H-pyran-4-one Formula: C29H36O3S MolecularWeight: 464.65934

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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)C4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4CCCC4)O

InChI

InChI=1S/C29H36O3S/c1-20-14-15-23(28(2,3)4)25(18-20)33-26-24(30)19-29(32-27(26)31,22-12-8-9-13-22)17-16-21-10-6-5-7-11-21/h5-7,10-11,14-15,18,22,31H,8-9,12-13,16-17,19H2,1-4H3