5-[3-(4-methylsulfonylphenoxy)phenyl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[3-(4-methylsulfonylphenoxy)phenyl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-[3-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-[3-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-[3-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-[3-(4-mesylphenoxy)phenyl]cyclohexane-1,3-quinone Formula: C22H22O6S MolecularWeight: 414.47148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C22H22O6S/c1-3-19(23)22-20(24)12-15(13-21(22)25)14-5-4-6-17(11-14)28-16-7-9-18(10-8-16)29(2,26)27/h4-11,15,23H,3,12-13H2,1-2H3