1-[3,4-bis(oxidanyl)phenyl]oct-1-yn-3-one

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]oct-1-yn-3-one Openeye Name: 1-(3,4-dihydroxyphenyl)oct-1-yn-3-one CAS Name: 1-(3,4-dihydroxyphenyl)-1-octyn-3-one IUPAC Name: 1-(3,4-dihydroxyphenyl)oct-1-yn-3-one Traditional Name: 1-(3,4-dihydroxyphenyl)oct-1-yn-3-one Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C#CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCC(=O)C#CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H16O3/c1-2-3-4-5-12(15)8-6-11-7-9-13(16)14(17)10-11/h7,9-10,16-17H,2-5H2,1H3