2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)butane-1,3-dione

Systemtic Name: 2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)butane-1,3-dione Openeye Name: 2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)butane-1,3-dione CAS Name: 2-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]butane-1,3-dione IUPAC Name: 2-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)butane-1,3-dione Traditional Name: 2-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]butane-1,3-dione Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(=O)C(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H18O3S/c1-12(19)17(13-4-8-15(21-2)9-5-13)18(20)14-6-10-16(22-3)11-7-14/h4-11,17H,1-3H3