2-oxidanyl-6-[3-(phenylmethyl)pentan-3-yl]-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one

Systemtic Name: 2-oxidanyl-6-[3-(phenylmethyl)pentan-3-yl]-3-(2-propan-2-ylphenyl)sulfanyl-pyran-4-one Openeye Name: 6-(1-benzyl-1-ethyl-propyl)-2-hydroxy-3-(2-isopropylphenyl)sulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-[3-(phenylmethyl)pentan-3-yl]-3-[(2-propan-2-ylphenyl)thio]-4-pyranone IUPAC Name: 6-(3-benzylpentan-3-yl)-2-hydroxy-3-(2-propan-2-ylphenyl)sulfanylpyran-4-one Traditional Name: 6-(1-benzyl-1-ethyl-propyl)-2-hydroxy-3-(o-cumenylthio)pyran-4-one Formula: C26H30O3S MolecularWeight: 422.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

Isomeric SMILES

CCC(CC)(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

InChI

InChI=1S/C26H30O3S/c1-5-26(6-2,17-19-12-8-7-9-13-19)23-16-21(27)24(25(28)29-23)30-22-15-11-10-14-20(22)18(3)4/h7-16,18,28H,5-6,17H2,1-4H3