3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-(1-phenethylcyclopentyl)pyran-4-one

Systemtic Name: 3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-2-oxidanyl-6-(1-phenethylcyclopentyl)pyran-4-one Openeye Name: 2-hydroxy-3-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-(1-phenethylcyclopentyl)pyran-4-one CAS Name: 2-hydroxy-3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-(1-phenethylcyclopentyl)-4-pyranone IUPAC Name: 2-hydroxy-3-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-(1-phenethylcyclopentyl)pyran-4-one Traditional Name: 2-hydroxy-3-[(2-isopropyl-5-methyl-phenyl)thio]-6-(1-phenethylcyclopentyl)pyran-4-one Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(=CC2=O)C3(CCCC3)CCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(=CC2=O)C3(CCCC3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C28H32O3S/c1-19(2)22-12-11-20(3)17-24(22)32-26-23(29)18-25(31-27(26)30)28(14-7-8-15-28)16-13-21-9-5-4-6-10-21/h4-6,9-12,17-19,30H,7-8,13-16H2,1-3H3