ethanoic acid; 7-methyl-7-phenyl-bicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: ethanoic acid; 7-methyl-7-phenyl-bicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: acetic acid; 7-methyl-7-phenyl-bicyclo[2.2.1]hepta-1,3,5-triene CAS Name: acetic acid; 7-methyl-7-phenylbicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: acetic acid; 7-methyl-7-phenylbicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: acetic acid; 7-methyl-7-phenyl-bicyclo[2.2.1]hepta-1,3,5-triene Formula: C16H16O2 MolecularWeight: 240.29704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC1(C2=CC=C1C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O.CC1(C2=CC=C1C=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H12.C2H4O2/c1-14(11-5-3-2-4-6-11)12-7-8-13(14)10-9-12;1-2(3)4/h2-10H,1H3;1H3,(H,3,4)