1-[1,3-bis-(4-methylphenyl)sulfonylpropyl]-2-bromanyl-benzene

Systemtic Name: 1-[1,3-bis-(4-methylphenyl)sulfonylpropyl]-2-bromanyl-benzene Openeye Name: 1-[1,3-bis(p-tolylsulfonyl)propyl]-2-bromo-benzene CAS Name: 1-[1,3-bis-(4-methylphenyl)sulfonylpropyl]-2-bromobenzene IUPAC Name: 1-[1,3-bis-(4-methylphenyl)sulfonylpropyl]-2-bromobenzene Traditional Name: 1-bromo-2-(1,3-ditosylpropyl)benzene Formula: C23H23BrO4S2 MolecularWeight: 507.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(C2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(C2=CC=CC=C2Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23BrO4S2/c1-17-7-11-19(12-8-17)29(25,26)16-15-23(21-5-3-4-6-22(21)24)30(27,28)20-13-9-18(2)10-14-20/h3-14,23H,15-16H2,1-2H3