3,4,5-tris(4-carbazol-9-ylbutoxy)benzoic acid

Systemtic Name: 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoic acid Openeye Name: 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoic acid CAS Name: 3,4,5-tris[4-(9-carbazolyl)butoxy]benzoic acid IUPAC Name: 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoic acid Traditional Name: 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoic acid Formula: C55H51N3O5 MolecularWeight: 834.01054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCCOC4=CC(=CC(=C4OCCCCN5C6=CC=CC=C6C7=CC=CC=C75)OCCCCN8C9=CC=CC=C9C1=CC=CC=C18)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCCOC4=CC(=CC(=C4OCCCCN5C6=CC=CC=C6C7=CC=CC=C75)OCCCCN8C9=CC=CC=C9C1=CC=CC=C18)C(=O)O

InChI

InChI=1S/C55H51N3O5/c59-55(60)39-37-52(61-34-16-13-31-56-46-25-7-1-19-40(46)41-20-2-8-26-47(41)56)54(63-36-18-15-33-58-50-29-11-5-23-44(50)45-24-6-12-30-51(45)58)53(38-39)62-35-17-14-32-57-48-27-9-3-21-42(48)43-22-4-10-28-49(43)57/h1-12,19-30,37-38H,13-18,31-36H2,(H,59,60)