2-[2-chloranyl-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-[5-(methoxymethyl)isoxazol-3-yl]-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-[5-(methoxymethyl)-3-isoxazolyl]-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-[5-(methoxymethyl)isoxazol-3-yl]benzoyl]cyclohexane-1,3-quinone Formula: C19H18ClNO7S MolecularWeight: 439.86672

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C

Isomeric SMILES

COCC1=CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C

InChI

InChI=1S/C19H18ClNO7S/c1-27-9-10-8-12(21-28-10)16-15(29(2,25)26)7-6-11(18(16)20)19(24)17-13(22)4-3-5-14(17)23/h6-8,17H,3-5,9H2,1-2H3