6-ethynylcyclohepta-1,3,5-triene-1-carboxylic acid

Systemtic Name: 6-ethynylcyclohepta-1,3,5-triene-1-carboxylic acid Openeye Name: 6-ethynylcyclohepta-1,3,5-triene-1-carboxylic acid CAS Name: 6-ethynyl-1-cyclohepta-1,3,5-trienecarboxylic acid IUPAC Name: 6-ethynylcyclohepta-1,3,5-triene-1-carboxylic acid Traditional Name: 6-ethynylcyclohepta-1,3,5-triene-1-carboxylic acid Formula: C10H8O2 MolecularWeight: 160.16932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8O2/c1-2-8-5-3-4-6-9(7-8)10(11)12/h1,3-6H,7H2,(H,11,12)