methyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate

Systemtic Name: methyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate Openeye Name: methyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate CAS Name: 3,4,5-tris[4-(9-carbazolyl)butoxy]benzoic acid methyl ester IUPAC Name: methyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate Traditional Name: 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoic acid methyl ester Formula: C56H53N3O5 MolecularWeight: 848.03712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)OCCCCN2C3=CC=CC=C3C4=CC=CC=C42)OCCCCN5C6=CC=CC=C6C7=CC=CC=C75)OCCCCN8C9=CC=CC=C9C1=CC=CC=C18

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)OCCCCN2C3=CC=CC=C3C4=CC=CC=C42)OCCCCN5C6=CC=CC=C6C7=CC=CC=C75)OCCCCN8C9=CC=CC=C9C1=CC=CC=C18

InChI

InChI=1S/C56H53N3O5/c1-61-56(60)40-38-53(62-35-17-14-32-57-47-26-8-2-20-41(47)42-21-3-9-27-48(42)57)55(64-37-19-16-34-59-51-30-12-6-24-45(51)46-25-7-13-31-52(46)59)54(39-40)63-36-18-15-33-58-49-28-10-4-22-43(49)44-23-5-11-29-50(44)58/h2-13,20-31,38-39H,14-19,32-37H2,1H3