2-(1-oxidanylbutylidene)-5-(2,3,4,5-tetramethyl-6-methylsulfonyl-phenyl)cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanylbutylidene)-5-(2,3,4,5-tetramethyl-6-methylsulfonyl-phenyl)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(2,3,4,5-tetramethyl-6-methylsulfonyl-phenyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(2,3,4,5-tetramethyl-6-methylsulfonylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(2,3,4,5-tetramethyl-6-methylsulfonylphenyl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(2-mesyl-3,4,5,6-tetramethyl-phenyl)cyclohexane-1,3-quinone Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C(=C2S(=O)(=O)C)C)C)C)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C(=C2S(=O)(=O)C)C)C)C)C)O

InChI

InChI=1S/C21H28O5S/c1-7-8-16(22)20-17(23)9-15(10-18(20)24)19-13(4)11(2)12(3)14(5)21(19)27(6,25)26/h15,22H,7-10H2,1-6H3