1,4-bis[(3-methylphenyl)sulfonyl]butan-2-one

Systemtic Name: 1,4-bis[(3-methylphenyl)sulfonyl]butan-2-one Openeye Name: 1,4-bis(m-tolylsulfonyl)butan-2-one CAS Name: 1,4-bis[(3-methylphenyl)sulfonyl]-2-butanone IUPAC Name: 1,4-bis[(3-methylphenyl)sulfonyl]butan-2-one Traditional Name: 1,4-bis(m-tolylsulfonyl)butan-2-one Formula: C18H20O5S2 MolecularWeight: 380.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)CCC(=O)CS(=O)(=O)C2=CC=CC(=C2)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)CCC(=O)CS(=O)(=O)C2=CC=CC(=C2)C

InChI

InChI=1S/C18H20O5S2/c1-14-5-3-7-17(11-14)24(20,21)10-9-16(19)13-25(22,23)18-8-4-6-15(2)12-18/h3-8,11-12H,9-10,13H2,1-2H3