2-pent-1-ynylcyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 2-pent-1-ynylcyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 2-pent-1-ynylcyclohexa-1,5-diene-1-carboxylic acid CAS Name: 2-pent-1-ynyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 2-pent-1-ynylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 2-pent-1-ynylcyclohexa-1,5-diene-1-carboxylic acid Formula: C12H14O2 MolecularWeight: 190.23836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C=CCC1)C(=O)O

Isomeric SMILES

CCCC#CC1=C(C=CCC1)C(=O)O

InChI

InChI=1S/C12H14O2/c1-2-3-4-7-10-8-5-6-9-11(10)12(13)14/h6,9H,2-3,5,8H2,1H3,(H,13,14)