4-(4-ethylsulfanylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one

Systemtic Name: 4-(4-ethylsulfanylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one Openeye Name: 4-(4-ethylsulfanylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one CAS Name: 4-[4-(ethylthio)phenyl]-2,2-dimethyl-5-(4-methylsulfonylphenyl)-3-furanone IUPAC Name: 4-(4-ethylsulfanylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one Traditional Name: 4-[4-(ethylthio)phenyl]-5-(4-mesylphenyl)-2,2-dimethyl-furan-3-one Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=C(OC(C2=O)(C)C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=C(OC(C2=O)(C)C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22O4S2/c1-5-26-16-10-6-14(7-11-16)18-19(25-21(2,3)20(18)22)15-8-12-17(13-9-15)27(4,23)24/h6-13H,5H2,1-4H3