2-(2-phenylethynyl)cycloheptene-1-carbaldehyde

Systemtic Name: 2-(2-phenylethynyl)cycloheptene-1-carbaldehyde Openeye Name: 2-(2-phenylethynyl)cycloheptene-1-carbaldehyde CAS Name: 2-(2-phenylethynyl)-1-cycloheptenecarboxaldehyde IUPAC Name: 2-(2-phenylethynyl)cycloheptene-1-carbaldehyde Traditional Name: 2-(2-phenylethynyl)cycloheptene-1-carbaldehyde Formula: C16H16O MolecularWeight: 224.29764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(CC1)C#CC2=CC=CC=C2)C=O

Isomeric SMILES

C1CCC(=C(CC1)C#CC2=CC=CC=C2)C=O

InChI

InChI=1S/C16H16O/c17-13-16-10-6-2-5-9-15(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-10H2