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

Systemtic Name: 5-(3,5-dimethylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(3,5-dimethylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(3,5-dimethylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(3,5-dimethylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(3,5-dimethylphenyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C22H20O4S MolecularWeight: 380.4568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O4S/c1-14-8-15(2)10-17(9-14)20-12-22-21(25-13-26-22)11-19(20)16-4-6-18(7-5-16)27(3,23)24/h4-12H,13H2,1-3H3