6-(3-ethyl-1-phenyl-pentan-3-yl)-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one

Systemtic Name: 6-(3-ethyl-1-phenyl-pentan-3-yl)-2-oxidanyl-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 6-(1,1-diethyl-3-phenyl-propyl)-2-hydroxy-3-(2-isopropylphenyl)sulfanyl-pyran-4-one CAS Name: 6-(3-ethyl-1-phenylpentan-3-yl)-2-hydroxy-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 6-(3-ethyl-1-phenylpentan-3-yl)-2-hydroxy-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 6-(1,1-diethyl-3-phenyl-propyl)-2-hydroxy-3-(o-cumenylthio)pyran-4-one Formula: C27H32O3S MolecularWeight: 436.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

Isomeric SMILES

CCC(CC)(CCC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

InChI

InChI=1S/C27H32O3S/c1-5-27(6-2,17-16-20-12-8-7-9-13-20)24-18-22(28)25(26(29)30-24)31-23-15-11-10-14-21(23)19(3)4/h7-15,18-19,29H,5-6,16-17H2,1-4H3