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

Systemtic Name: 6-[1-(4-methylpentyl)cyclopentyl]-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 2-hydroxy-6-(1-isohexylcyclopentyl)-3-(2-isopropylphenyl)sulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-[1-(4-methylpentyl)cyclopentyl]-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 2-hydroxy-6-[1-(4-methylpentyl)cyclopentyl]-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 2-hydroxy-6-(1-isohexylcyclopentyl)-3-(o-cumenylthio)pyran-4-one Formula: C25H34O3S MolecularWeight: 414.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1(CCCC1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

Isomeric SMILES

CC(C)CCCC1(CCCC1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

InChI

InChI=1S/C25H34O3S/c1-17(2)10-9-15-25(13-7-8-14-25)22-16-20(26)23(24(27)28-22)29-21-12-6-5-11-19(21)18(3)4/h5-6,11-12,16-18,27H,7-10,13-15H2,1-4H3