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

Systemtic Name: 6-[1-(4-methylpentyl)cyclopentyl]-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-one Openeye Name: 6-(1-isohexylcyclopentyl)-3-(2-isopropylphenyl)sulfanyl-pyran-2-one CAS Name: 6-[1-(4-methylpentyl)cyclopentyl]-3-[(2-propan-2-ylphenyl)thio]-2-pyranone IUPAC Name: 6-[1-(4-methylpentyl)cyclopentyl]-3-(2-propan-2-ylphenyl)sulfanylpyran-2-one Traditional Name: 6-(1-isohexylcyclopentyl)-3-(o-cumenylthio)pyran-2-one Formula: C25H34O2S MolecularWeight: 398.60126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O2S/c1-18(2)10-9-17-25(15-7-8-16-25)23-14-13-22(24(26)27-23)28-21-12-6-5-11-20(21)19(3)4/h5-6,11-14,18-19H,7-10,15-17H2,1-4H3