5-(2,3-dimethylphenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(2,3-dimethylphenyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(2,3-dimethylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(2,3-dimethylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(2,3-dimethylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(2,3-dimethylphenyl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=CC=C2)C)C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=C(C(=CC=C2)C)C)O

InChI

InChI=1S/C17H20O3/c1-4-14(18)17-15(19)8-12(9-16(17)20)13-7-5-6-10(2)11(13)3/h5-7,12,18H,4,8-9H2,1-3H3