trisodium 4-[2-[4-[bis[4-[2-(4-carboxylatophenyl)ethynyl]phenyl]amino]phenyl]ethynyl]benzoate

Systemtic Name: trisodium 4-[2-[4-[bis[4-[2-(4-carboxylatophenyl)ethynyl]phenyl]amino]phenyl]ethynyl]benzoate Openeye Name: trisodium 4-[2-[4-[4-[2-(4-carboxylatophenyl)ethynyl]-N-[4-[2-(4-carboxylatophenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]benzoate CAS Name: trisodium 4-[2-[4-[4-[2-(4-carboxylatophenyl)ethynyl]-N-[4-[2-(4-carboxylatophenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]benzoate IUPAC Name: trisodium 4-[2-[4-[4-[2-(4-carboxylatophenyl)ethynyl]-N-[4-[2-(4-carboxylatophenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]benzoate Traditional Name: trisodium 4-[2-[4-[4-[2-(4-carboxylatophenyl)ethynyl]-N-[4-[2-(4-carboxylatophenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]benzoate Formula: C45H24NNa3O6 MolecularWeight: 743.64447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC=C(C=C2)N(C3=CC=C(C=C3)C#CC4=CC=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)C#CC6=CC=C(C=C6)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC=C(C=C2)N(C3=CC=C(C=C3)C#CC4=CC=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)C#CC6=CC=C(C=C6)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C45H27NO6.3Na/c47-43(48)37-19-7-31(8-20-37)1-4-34-13-25-40(26-14-34)46(41-27-15-35(16-28-41)5-2-32-9-21-38(22-10-32)44(49)50)42-29-17-36(18-30-42)6-3-33-11-23-39(24-12-33)45(51)52;;;/h7-30H,(H,47,48)(H,49,50)(H,51,52);;;/q;3*+1/p-3