5-[2-ethyl-5-(sulfonylmethyl)phenyl]cyclohexane-1,3-dione

Systemtic Name: 5-[2-ethyl-5-(sulfonylmethyl)phenyl]cyclohexane-1,3-dione Openeye Name: 5-[2-ethyl-5-(sulfonylmethyl)phenyl]cyclohexane-1,3-dione CAS Name: 5-[2-ethyl-5-(sulfonylmethyl)phenyl]cyclohexane-1,3-dione IUPAC Name: 5-[2-ethyl-5-(sulfonylmethyl)phenyl]cyclohexane-1,3-dione Traditional Name: 5-[2-ethyl-5-(sulfonylmethyl)phenyl]cyclohexane-1,3-quinone Formula: C15H16O4S MolecularWeight: 292.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=S(=O)=O)C2CC(=O)CC(=O)C2

Isomeric SMILES

CCC1=C(C=C(C=C1)C=S(=O)=O)C2CC(=O)CC(=O)C2

InChI

InChI=1S/C15H16O4S/c1-2-11-4-3-10(9-20(18)19)5-15(11)12-6-13(16)8-14(17)7-12/h3-5,9,12H,2,6-8H2,1H3