3-[(3-chloranyl-4-methylsulfonyl-phenyl)methylidene]pentane-2,4-dione

Systemtic Name: 3-[(3-chloranyl-4-methylsulfonyl-phenyl)methylidene]pentane-2,4-dione Openeye Name: 3-[(3-chloro-4-methylsulfonyl-phenyl)methylene]pentane-2,4-dione CAS Name: 3-[(3-chloro-4-methylsulfonylphenyl)methylidene]pentane-2,4-dione IUPAC Name: 3-[(3-chloro-4-methylsulfonylphenyl)methylidene]pentane-2,4-dione Traditional Name: 3-(3-chloro-4-mesyl-benzylidene)pentane-2,4-dione Formula: C13H13ClO4S MolecularWeight: 300.75792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO4S/c1-8(15)11(9(2)16)6-10-4-5-13(12(14)7-10)19(3,17)18/h4-7H,1-3H3