5-oxidanyl-7-phenyl-hept-2-ynoic acid

Systemtic Name: 5-oxidanyl-7-phenyl-hept-2-ynoic acid Openeye Name: 5-hydroxy-7-phenyl-hept-2-ynoic acid CAS Name: 5-hydroxy-7-phenyl-2-heptynoic acid IUPAC Name: 5-hydroxy-7-phenylhept-2-ynoic acid Traditional Name: 5-hydroxy-7-phenyl-hept-2-ynoic acid Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c14-12(7-4-8-13(15)16)10-9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,7,9-10H2,(H,15,16)