5-[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(2,4,6-trimethyl-3-methylol-phenyl)cyclohexane-1,3-quinone Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)CO)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C=C2C)C)CO)C)O

InChI

InChI=1S/C20H26O4/c1-5-6-16(22)20-17(23)8-14(9-18(20)24)19-12(3)7-11(2)15(10-21)13(19)4/h7,14,21-22H,5-6,8-10H2,1-4H3