4-[2,4-bis(oxidanylidene)cycloheptyl]-2-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-7-methyl-cycloheptane-1,3-dione

Systemtic Name: 4-[2,4-bis(oxidanylidene)cycloheptyl]-2-(2-chloranyl-3-methoxy-4-methylsulfonyl-phenyl)carbonyl-7-methyl-cycloheptane-1,3-dione Openeye Name: 2-(2-chloro-3-methoxy-4-methylsulfonyl-benzoyl)-4-(2,4-dioxocycloheptyl)-7-methyl-cycloheptane-1,3-dione CAS Name: 2-[(2-chloro-3-methoxy-4-methylsulfonylphenyl)-oxomethyl]-4-(2,4-dioxocycloheptyl)-7-methylcycloheptane-1,3-dione IUPAC Name: 2-(2-chloro-3-methoxy-4-methylsulfonylbenzoyl)-4-(2,4-dioxocycloheptyl)-7-methylcycloheptane-1,3-dione Traditional Name: 2-(2-chloro-4-mesyl-3-methoxy-benzoyl)-4-(2,4-diketocycloheptyl)-7-methyl-cycloheptane-1,3-quinone Formula: C24H27ClO8S MolecularWeight: 510.98438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C(C1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC)Cl)C3CCCC(=O)CC3=O

Isomeric SMILES

CC1CCC(C(=O)C(C1=O)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC)Cl)C3CCCC(=O)CC3=O

InChI

InChI=1S/C24H27ClO8S/c1-12-7-8-15(14-6-4-5-13(26)11-17(14)27)22(29)19(21(12)28)23(30)16-9-10-18(34(3,31)32)24(33-2)20(16)25/h9-10,12,14-15,19H,4-8,11H2,1-3H3