5-(3-methoxy-4-methyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

Systemtic Name: 5-(3-methoxy-4-methyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(3-methoxy-4-methyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(3-methoxy-4-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(3-methoxy-4-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(4-mesylphenyl)-6-(3-methoxy-4-methyl-phenyl)-1,3-benzodioxole Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3)OC

InChI

InChI=1S/C22H20O5S/c1-14-4-5-16(10-20(14)25-2)19-12-22-21(26-13-27-22)11-18(19)15-6-8-17(9-7-15)28(3,23)24/h4-12H,13H2,1-3H3