3-bromanyl-4-(4-methylphenyl)sulfonyl-butan-2-one

Systemtic Name: 3-bromanyl-4-(4-methylphenyl)sulfonyl-butan-2-one Openeye Name: 3-bromo-4-(p-tolylsulfonyl)butan-2-one CAS Name: 3-bromo-4-(4-methylphenyl)sulfonyl-2-butanone IUPAC Name: 3-bromo-4-(4-methylphenyl)sulfonylbutan-2-one Traditional Name: 3-bromo-4-tosyl-butan-2-one Formula: C11H13BrO3S MolecularWeight: 305.18812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)C)Br

InChI

InChI=1S/C11H13BrO3S/c1-8-3-5-10(6-4-8)16(14,15)7-11(12)9(2)13/h3-6,11H,7H2,1-2H3