(E)-6-(4-methylsulfonylphenyl)hex-5-ene-2,4-dione

Systemtic Name: (E)-6-(4-methylsulfonylphenyl)hex-5-ene-2,4-dione Openeye Name: (E)-6-(4-methylsulfonylphenyl)hex-5-ene-2,4-dione CAS Name: (E)-6-(4-methylsulfonylphenyl)-5-hexene-2,4-dione IUPAC Name: (E)-6-(4-methylsulfonylphenyl)hex-5-ene-2,4-dione Traditional Name: (E)-6-(4-mesylphenyl)hex-5-ene-2,4-dione Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)CC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C13H14O4S/c1-10(14)9-12(15)6-3-11-4-7-13(8-5-11)18(2,16)17/h3-8H,9H2,1-2H3/b6-3+