3-(phenylmethylsulfanyl)-6-(2,4,6-trimethylphenyl)pyran-2-one

Systemtic Name: 3-(phenylmethylsulfanyl)-6-(2,4,6-trimethylphenyl)pyran-2-one Openeye Name: 3-benzylsulfanyl-6-(2,4,6-trimethylphenyl)pyran-2-one CAS Name: 3-(phenylmethylthio)-6-(2,4,6-trimethylphenyl)-2-pyranone IUPAC Name: 3-benzylsulfanyl-6-(2,4,6-trimethylphenyl)pyran-2-one Traditional Name: 3-(benzylthio)-6-mesityl-pyran-2-one Formula: C21H20O2S MolecularWeight: 336.4473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CC=C(C(=O)O2)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CC=C(C(=O)O2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H20O2S/c1-14-11-15(2)20(16(3)12-14)18-9-10-19(21(22)23-18)24-13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3