4-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-(2-tetrahydropyran-2-yloxyphenyl)ethynyl]benzoic acid CAS Name: 4-[2-[2-(2-oxanyloxy)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-(2-tetrahydropyran-2-yloxyphenyl)ethynyl]benzoic acid Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=CC=CC=C2C#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC2=CC=CC=C2C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18O4/c21-20(22)17-12-9-15(10-13-17)8-11-16-5-1-2-6-18(16)24-19-7-3-4-14-23-19/h1-2,5-6,9-10,12-13,19H,3-4,7,14H2,(H,21,22)