4-[4-carboxy-2-(2-naphthalen-1-ylethynyl)phenyl]-3-(2-naphthalen-1-ylethynyl)benzoic acid

Systemtic Name: 4-[4-carboxy-2-(2-naphthalen-1-ylethynyl)phenyl]-3-(2-naphthalen-1-ylethynyl)benzoic acid Openeye Name: 4-[4-carboxy-2-[2-(1-naphthyl)ethynyl]phenyl]-3-[2-(1-naphthyl)ethynyl]benzoic acid CAS Name: 4-[4-carboxy-2-[2-(1-naphthalenyl)ethynyl]phenyl]-3-[2-(1-naphthalenyl)ethynyl]benzoic acid IUPAC Name: 4-[4-carboxy-2-(2-naphthalen-1-ylethynyl)phenyl]-3-(2-naphthalen-1-ylethynyl)benzoic acid Traditional Name: 4-[4-carboxy-2-[2-(1-naphthyl)ethynyl]phenyl]-3-[2-(1-naphthyl)ethynyl]benzoic acid Formula: C38H22O4 MolecularWeight: 542.57888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C#CC3=C(C=CC(=C3)C(=O)O)C4=C(C=C(C=C4)C(=O)O)C#CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C#CC3=C(C=CC(=C3)C(=O)O)C4=C(C=C(C=C4)C(=O)O)C#CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C38H22O4/c39-37(40)31-19-21-35(29(23-31)17-15-27-11-5-9-25-7-1-3-13-33(25)27)36-22-20-32(38(41)42)24-30(36)18-16-28-12-6-10-26-8-2-4-14-34(26)28/h1-14,19-24H,(H,39,40)(H,41,42)