(E)-7-(4-methanoylphenyl)-2,2-dimethyl-hept-6-enoic acid

Systemtic Name: (E)-7-(4-methanoylphenyl)-2,2-dimethyl-hept-6-enoic acid Openeye Name: (E)-7-(4-formylphenyl)-2,2-dimethyl-hept-6-enoic acid CAS Name: (E)-7-(4-formylphenyl)-2,2-dimethyl-6-heptenoic acid IUPAC Name: (E)-7-(4-formylphenyl)-2,2-dimethylhept-6-enoic acid Traditional Name: (E)-7-(4-formylphenyl)-2,2-dimethyl-hept-6-enoic acid Formula: C16H20O3 MolecularWeight: 260.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC=CC1=CC=C(C=C1)C=O)C(=O)O

Isomeric SMILES

CC(C)(CCC/C=C/C1=CC=C(C=C1)C=O)C(=O)O

InChI

InChI=1S/C16H20O3/c1-16(2,15(18)19)11-5-3-4-6-13-7-9-14(12-17)10-8-13/h4,6-10,12H,3,5,11H2,1-2H3,(H,18,19)/b6-4+