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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-(3-chloro-4-methyl-phenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(3-chloro-4-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-(3-chloro-4-methylphenyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(3-chloro-4-methyl-phenyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C21H17ClO4S MolecularWeight: 400.87528

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClO4S/c1-13-3-4-15(9-19(13)22)18-11-21-20(25-12-26-21)10-17(18)14-5-7-16(8-6-14)27(2,23)24/h3-11H,12H2,1-2H3