4-[(E)-2-cyclohepta-1,3,5-trien-1-ylethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyclohepta-1,3,5-trien-1-ylethenyl]benzoic acid Openeye Name: 4-[(E)-2-cyclohepta-1,3,5-trien-1-ylvinyl]benzoic acid CAS Name: 4-[(E)-2-(1-cyclohepta-1,3,5-trienyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-cyclohepta-1,3,5-trien-1-ylethenyl]benzoic acid Traditional Name: 4-[(E)-2-cyclohepta-1,3,5-trien-1-ylvinyl]benzoic acid Formula: C16H14O2 MolecularWeight: 238.28116

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC=C1C=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C=CC=CC=C1/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14O2/c17-16(18)15-11-9-14(10-12-15)8-7-13-5-3-1-2-4-6-13/h1-5,7-12H,6H2,(H,17,18)/b8-7+