2-[2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-(3-acetonyloxy-2-chloro-4-ethylsulfonyl-benzoyl)cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)benzoyl]cyclohexane-1,3-dione Traditional Name: 2-(3-acetonyloxy-2-chloro-4-esyl-benzoyl)cyclohexane-1,3-quinone Formula: C18H19ClO7S MolecularWeight: 414.85726

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCC(=O)C

InChI

InChI=1S/C18H19ClO7S/c1-3-27(24,25)14-8-7-11(16(19)18(14)26-9-10(2)20)17(23)15-12(21)5-4-6-13(15)22/h7-8,15H,3-6,9H2,1-2H3