5-[(3-methoxyphenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

Systemtic Name: 5-[(3-methoxyphenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-[(3-methoxyphenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-[(3-methoxyphenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-[(3-methoxyphenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-m-anisyl-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C22H20O5S/c1-25-18-5-3-4-15(11-18)10-17-12-21-22(27-14-26-21)13-20(17)16-6-8-19(9-7-16)28(2,23)24/h3-9,11-13H,10,14H2,1-2H3