3-[2-[3-[4-(furan-3-yl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid

Systemtic Name: 3-[2-[3-[4-(furan-3-yl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid Openeye Name: 3-[2-[3-[4-(3-furyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid CAS Name: 3-[2-[3-[4-(3-furanyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid IUPAC Name: 3-[2-[3-[4-(furan-3-yl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid Traditional Name: 3-[2-[3-[4-(3-furyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid Formula: C26H18O5 MolecularWeight: 410.41812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC#CC2=CC=C(C=C2)C3=COC=C3)OC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCC#CC2=CC=C(C=C2)C3=COC=C3)OC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H18O5/c27-26(28)21-6-3-7-23(17-21)31-25-9-2-1-8-24(25)30-15-4-5-19-10-12-20(13-11-19)22-14-16-29-18-22/h1-3,6-14,16-18H,15H2,(H,27,28)