bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)phenyl]methanone

Systemtic Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)phenyl]methanone Openeye Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)phenyl]methanone CAS Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)phenyl]methanone IUPAC Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)phenyl]methanone Traditional Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-mesylphenyl)phenyl]methanone Formula: C41H30O9S2 MolecularWeight: 730.8015

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=C(C=CC=C5C6=CC7=C(C=C6)OCO7)C8=CC=C(C=C8)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=C(C=CC=C5C6=CC7=C(C=C6)OCO7)C8=CC=C(C=C8)S(=O)(=O)C

InChI

InChI=1S/C41H30O9S2/c1-51(43,44)29-15-9-25(10-16-29)31-5-3-7-33(27-13-19-35-37(21-27)49-23-47-35)39(31)41(42)40-32(26-11-17-30(18-12-26)52(2,45)46)6-4-8-34(40)28-14-20-36-38(22-28)50-24-48-36/h3-22H,23-24H2,1-2H3