4-methyl-2-phenacyl-benzenesulfonate

Systemtic Name: 4-methyl-2-phenacyl-benzenesulfonate Openeye Name: 4-methyl-2-phenacyl-benzenesulfonate CAS Name: 4-methyl-2-phenacylbenzenesulfonate IUPAC Name: 4-methyl-2-phenacylbenzenesulfonate Traditional Name: 4-methyl-2-phenacyl-besylate Formula: C15H13O4S- MolecularWeight: 289.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14O4S/c1-11-7-8-15(20(17,18)19)13(9-11)10-14(16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,19)/p-1