4-[(E)-3-cyclohepta-2,4,6-trien-1-ylprop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-cyclohepta-2,4,6-trien-1-ylprop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-cyclohepta-2,4,6-trien-1-ylprop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-(1-cyclohepta-2,4,6-trienyl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-cyclohepta-2,4,6-trien-1-ylprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-cyclohepta-2,4,6-trien-1-ylprop-1-enyl]benzoic acid Formula: C17H16O2 MolecularWeight: 252.30774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC(C=C1)CC=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=CC(C=C1)C/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H16O2/c18-17(19)16-12-10-15(11-13-16)9-5-8-14-6-3-1-2-4-7-14/h1-7,9-14H,8H2,(H,18,19)/b9-5+