5-(3-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

Systemtic Name: 5-(3-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(4-methylsulfonylphenyl)-6-(m-tolyl)-1,3-benzodioxole CAS Name: 5-(3-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(3-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(4-mesylphenyl)-6-(m-tolyl)-1,3-benzodioxole Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O4S/c1-14-4-3-5-16(10-14)19-12-21-20(24-13-25-21)11-18(19)15-6-8-17(9-7-15)26(2,22)23/h3-12H,13H2,1-2H3