bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-(2-ethynylphenyl)terephthalic acid

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-(2-ethynylphenyl)terephthalic acid Openeye Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-(2-ethynylphenyl)terephthalic acid CAS Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-(2-ethynylphenyl)terephthalic acid IUPAC Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-(2-ethynylphenyl)terephthalic acid Traditional Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-(2-ethynylphenyl)terephthalic acid Formula: C22H14O4 MolecularWeight: 342.34416

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)O)C(=O)O.C1=CC2=CC2=C1

Isomeric SMILES

C#CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)O)C(=O)O.C1=CC2=CC2=C1

InChI

InChI=1S/C16H10O4.C6H4/c1-2-10-5-3-4-6-12(10)14-9-11(15(17)18)7-8-13(14)16(19)20;1-2-5-4-6(5)3-1/h1,3-9H,(H,17,18)(H,19,20);1-4H