1-[4-methyl-2,5-bis(oxidanyl)phenyl]heptan-1-one

Systemtic Name: 1-[4-methyl-2,5-bis(oxidanyl)phenyl]heptan-1-one Openeye Name: 1-(2,5-dihydroxy-4-methyl-phenyl)heptan-1-one CAS Name: 1-(2,5-dihydroxy-4-methylphenyl)-1-heptanone IUPAC Name: 1-(2,5-dihydroxy-4-methylphenyl)heptan-1-one Traditional Name: 1-(2,5-dihydroxy-4-methyl-phenyl)heptan-1-one Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=CC(=C(C=C1O)C)O

Isomeric SMILES

CCCCCCC(=O)C1=CC(=C(C=C1O)C)O

InChI

InChI=1S/C14H20O3/c1-3-4-5-6-7-12(15)11-9-13(16)10(2)8-14(11)17/h8-9,16-17H,3-7H2,1-2H3