6-hept-1-ynyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 6-hept-1-ynyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 6-hept-1-ynyl-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 6-hept-1-ynyl-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 6-hept-1-ynyl-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 6-hept-1-ynyl-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2/c1-2-3-4-5-6-8-12-9-7-10-13(15)14(16)11-12/h7,9-11H,2-5H2,1H3,(H,15,16)