2-[4-[3-(2-ethynyl-3,5-diphenyl-phenyl)prop-2-ynoxy]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(2-ethynyl-3,5-diphenyl-phenyl)prop-2-ynoxy]phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(2-ethynyl-3,5-diphenyl-phenyl)prop-2-ynoxy]phenoxy]acetic acid CAS Name: 2-[4-[3-(2-ethynyl-3,5-diphenylphenyl)prop-2-ynoxy]phenoxy]acetic acid IUPAC Name: 2-[4-[3-(2-ethynyl-3,5-diphenylphenyl)prop-2-ynoxy]phenoxy]acetic acid Traditional Name: 2-[4-[3-(2-ethynyl-3,5-diphenyl-phenyl)prop-2-ynoxy]phenoxy]acetic acid Formula: C31H22O4 MolecularWeight: 458.50398

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=C(C=C1C#CCOC2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C#CC1=C(C=C(C=C1C#CCOC2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H22O4/c1-2-29-25(14-9-19-34-27-15-17-28(18-16-27)35-22-31(32)33)20-26(23-10-5-3-6-11-23)21-30(29)24-12-7-4-8-13-24/h1,3-8,10-13,15-18,20-21H,19,22H2,(H,32,33)