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

Systemtic Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzoic acid Openeye Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzoic acid CAS Name: 3-[(E)-3-(1-cyclohepta-2,4,6-trienyl)but-1-enyl]benzoic acid IUPAC Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzoic acid Traditional Name: 3-[(E)-3-cyclohepta-2,4,6-trien-1-ylbut-1-enyl]benzoic acid Formula: C18H18O2 MolecularWeight: 266.33432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC(=CC=C1)C(=O)O)C2C=CC=CC=C2

Isomeric SMILES

CC(/C=C/C1=CC(=CC=C1)C(=O)O)C2C=CC=CC=C2

InChI

InChI=1S/C18H18O2/c1-14(16-8-4-2-3-5-9-16)11-12-15-7-6-10-17(13-15)18(19)20/h2-14,16H,1H3,(H,19,20)/b12-11+