5-[3,5-bis(fluoranyl)-4-methyl-phenyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

Systemtic Name: 5-[3,5-bis(fluoranyl)-4-methyl-phenyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(3,5-difluoro-4-methyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(3,5-difluoro-4-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(3,5-difluoro-4-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(3,5-difluoro-4-methyl-phenyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C21H16F2O4S MolecularWeight: 402.411146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1F)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3)F

InChI

InChI=1S/C21H16F2O4S/c1-12-18(22)7-14(8-19(12)23)17-10-21-20(26-11-27-21)9-16(17)13-3-5-15(6-4-13)28(2,24)25/h3-10H,11H2,1-2H3