bicyclo[2.2.1]hepta-1,3,5-triene; 4-(2-ethynylphenyl)cyclohexane-1-carbaldehyde

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-triene; 4-(2-ethynylphenyl)cyclohexane-1-carbaldehyde Openeye Name: bicyclo[2.2.1]hepta-1,3,5-triene; 4-(2-ethynylphenyl)cyclohexanecarbaldehyde CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; 4-(2-ethynylphenyl)-1-cyclohexanecarboxaldehyde IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-triene; 4-(2-ethynylphenyl)cyclohexane-1-carbaldehyde Traditional Name: bicyclo[2.2.1]hepta-1,3,5-triene; 4-(2-ethynylphenyl)cyclohexanecarbaldehyde Formula: C22H22O MolecularWeight: 302.40948

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1C2CCC(CC2)C=O.C1C2=CC=C1C=C2

Isomeric SMILES

C#CC1=CC=CC=C1C2CCC(CC2)C=O.C1C2=CC=C1C=C2

InChI

InChI=1S/C15H16O.C7H6/c1-2-13-5-3-4-6-15(13)14-9-7-12(11-16)8-10-14;1-2-7-4-3-6(1)5-7/h1,3-6,11-12,14H,7-10H2;1-4H,5H2