2-(2-oxabicyclo[8.3.0]tridec-10-en-4,8-diyn-7-yloxycarbonyl)benzoic acid

Systemtic Name: 2-(2-oxabicyclo[8.3.0]tridec-10-en-4,8-diyn-7-yloxycarbonyl)benzoic acid Openeye Name: 2-(2-oxabicyclo[8.3.0]tridec-10-en-4,8-diyn-7-yloxycarbonyl)benzoic acid CAS Name: 2-[2-oxabicyclo[8.3.0]tridec-10-en-4,8-diyn-7-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(2-oxabicyclo[8.3.0]tridec-10-en-4,8-diyn-7-yloxycarbonyl)benzoic acid Traditional Name: 2-(2-oxabicyclo[8.3.0]tridec-10-en-4,8-diyn-7-yloxycarbonyl)benzoic acid Formula: C20H16O5 MolecularWeight: 336.33804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=C1)C#CC(CC#CCO2)OC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC2C(=C1)C#CC(CC#CCO2)OC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H16O5/c21-19(22)16-8-1-2-9-17(16)20(23)25-15-7-3-4-13-24-18-10-5-6-14(18)11-12-15/h1-2,6,8-9,15,18H,5,7,10,13H2,(H,21,22)