6-[1-(3-methylbutyl)cyclopropyl]-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one

Systemtic Name: 6-[1-(3-methylbutyl)cyclopropyl]-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 2-hydroxy-6-(1-isopentylcyclopropyl)-3-(2-isopropylphenyl)sulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-[1-(3-methylbutyl)cyclopropyl]-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 2-hydroxy-6-[1-(3-methylbutyl)cyclopropyl]-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 2-hydroxy-6-(1-isoamylcyclopropyl)-3-(o-cumenylthio)pyran-4-one Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

Isomeric SMILES

CC(C)CCC1(CC1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

InChI

InChI=1S/C22H28O3S/c1-14(2)9-10-22(11-12-22)19-13-17(23)20(21(24)25-19)26-18-8-6-5-7-16(18)15(3)4/h5-8,13-15,24H,9-12H2,1-4H3