3-deuteriocyclohepta-1,4,6-triene-1-carboxylic acid

Systemtic Name: 3-deuteriocyclohepta-1,4,6-triene-1-carboxylic acid Openeye Name: 3-deuteriocyclohepta-1,4,6-triene-1-carboxylic acid CAS Name: 3-deuterio-1-cyclohepta-1,4,6-trienecarboxylic acid IUPAC Name: 3-deuteriocyclohepta-1,4,6-triene-1-carboxylic acid Traditional Name: 3-deuteriocyclohepta-1,4,6-triene-1-carboxylic acid Formula: C8H8O2 MolecularWeight: 138.146737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1C=CC=CC(=C1)[13C](=O)O

InChI

InChI=1S/C8H8O2/c9-8(10)7-5-3-1-2-4-6-7/h1-3,5-6H,4H2,(H,9,10)/i4D,8+1