5-(2,4-dimethyl-6-phenylmethoxy-phenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(2,4-dimethyl-6-phenylmethoxy-phenyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(2-benzyloxy-4,6-dimethyl-phenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(2,4-dimethyl-6-phenylmethoxyphenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-(2-benzoxy-4,6-dimethyl-phenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2OCC3=CC=CC=C3)C)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C=C(C=C2OCC3=CC=CC=C3)C)C)O

InChI

InChI=1S/C25H28O4/c1-4-8-20(26)25-21(27)13-19(14-22(25)28)24-17(3)11-16(2)12-23(24)29-15-18-9-6-5-7-10-18/h5-7,9-12,19,26H,4,8,13-15H2,1-3H3