3-[(4-methylsulfonylphenyl)methylidene]pentane-2,4-dione

Systemtic Name: 3-[(4-methylsulfonylphenyl)methylidene]pentane-2,4-dione Openeye Name: 3-[(4-methylsulfonylphenyl)methylene]pentane-2,4-dione CAS Name: 3-[(4-methylsulfonylphenyl)methylidene]pentane-2,4-dione IUPAC Name: 3-[(4-methylsulfonylphenyl)methylidene]pentane-2,4-dione Traditional Name: 3-(4-mesylbenzylidene)pentane-2,4-dione Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4S/c1-9(14)13(10(2)15)8-11-4-6-12(7-5-11)18(3,16)17/h4-8H,1-3H3