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

Systemtic Name: 2-[2-chloranyl-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-4-methylsulfonyl-3-[(3-phenylisoxazol-5-yl)methoxy]benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-methylsulfonyl-3-[(3-phenyl-5-isoxazolyl)methoxy]phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]benzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-4-mesyl-3-[(3-phenylisoxazol-5-yl)methoxy]benzoyl]cyclohexane-1,3-quinone Formula: C24H20ClNO7S MolecularWeight: 501.9361

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C24H20ClNO7S/c1-34(30,31)20-11-10-16(23(29)21-18(27)8-5-9-19(21)28)22(25)24(20)32-13-15-12-17(26-33-15)14-6-3-2-4-7-14/h2-4,6-7,10-12,21H,5,8-9,13H2,1H3