4-[3-(4-carboxyphenoxy)-2-[2-(3-phenylphenyl)ethynyl]phenoxy]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenoxy)-2-[2-(3-phenylphenyl)ethynyl]phenoxy]benzoic acid Openeye Name: 4-[3-(4-carboxyphenoxy)-2-[2-(3-phenylphenyl)ethynyl]phenoxy]benzoic acid CAS Name: 4-[3-(4-carboxyphenoxy)-2-[2-(3-phenylphenyl)ethynyl]phenoxy]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenoxy)-2-[2-(3-phenylphenyl)ethynyl]phenoxy]benzoic acid Traditional Name: 4-[3-(4-carboxyphenoxy)-2-[2-(3-phenylphenyl)ethynyl]phenoxy]benzoic acid Formula: C34H22O6 MolecularWeight: 526.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC(=C2)C#CC3=C(C=CC=C3OC4=CC=C(C=C4)C(=O)O)OC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC(=C2)C#CC3=C(C=CC=C3OC4=CC=C(C=C4)C(=O)O)OC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C34H22O6/c35-33(36)25-13-17-28(18-14-25)39-31-10-5-11-32(40-29-19-15-26(16-20-29)34(37)38)30(31)21-12-23-6-4-9-27(22-23)24-7-2-1-3-8-24/h1-11,13-20,22H,(H,35,36)(H,37,38)