3-[2-[3-(4-thiophen-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid

Systemtic Name: 3-[2-[3-(4-thiophen-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Openeye Name: 3-[2-[3-[4-(2-thienyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid CAS Name: 3-[2-[3-(4-thiophen-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid IUPAC Name: 3-[2-[3-(4-thiophen-2-ylphenyl)prop-2-ynoxy]phenoxy]benzoic acid Traditional Name: 3-[2-[3-[4-(2-thienyl)phenyl]prop-2-ynoxy]phenoxy]benzoic acid Formula: C26H18O4S MolecularWeight: 426.48372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC#CC2=CC=C(C=C2)C3=CC=CS3)OC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCC#CC2=CC=C(C=C2)C3=CC=CS3)OC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H18O4S/c27-26(28)21-7-3-8-22(18-21)30-24-10-2-1-9-23(24)29-16-4-6-19-12-14-20(15-13-19)25-11-5-17-31-25/h1-3,5,7-15,17-18H,16H2,(H,27,28)