3-(4-bromophenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid

Systemtic Name: 3-(4-bromophenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid Openeye Name: 3-(4-bromophenyl)-3-oxo-1-phenyl-propane-1-sulfonic acid CAS Name: 3-(4-bromophenyl)-3-oxo-1-phenyl-1-propanesulfonic acid IUPAC Name: 3-(4-bromophenyl)-3-oxo-1-phenylpropane-1-sulfonic acid Traditional Name: 3-(4-bromophenyl)-3-keto-1-phenyl-propane-1-sulfonic acid Formula: C15H13BrO4S MolecularWeight: 369.23032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)O

InChI

InChI=1S/C15H13BrO4S/c16-13-8-6-11(7-9-13)14(17)10-15(21(18,19)20)12-4-2-1-3-5-12/h1-9,15H,10H2,(H,18,19,20)