6-(6-carboxy-9-octyl-carbazol-3-yl)-9-octyl-carbazole-3-carboxylic acid

Systemtic Name: 6-(6-carboxy-9-octyl-carbazol-3-yl)-9-octyl-carbazole-3-carboxylic acid Openeye Name: 6-(6-carboxy-9-octyl-carbazol-3-yl)-9-octyl-carbazole-3-carboxylic acid CAS Name: 6-(6-carboxy-9-octyl-3-carbazolyl)-9-octyl-3-carbazolecarboxylic acid IUPAC Name: 6-(6-carboxy-9-octylcarbazol-3-yl)-9-octylcarbazole-3-carboxylic acid Traditional Name: 6-(6-carboxy-9-octyl-carbazol-3-yl)-9-octyl-carbazole-3-carboxylic acid Formula: C42H48N2O4 MolecularWeight: 644.84152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C(=O)O)CCCCCCCC)C6=C1C=CC(=C6)C(=O)O

Isomeric SMILES

CCCCCCCCN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C(=O)O)CCCCCCCC)C6=C1C=CC(=C6)C(=O)O

InChI

InChI=1S/C42H48N2O4/c1-3-5-7-9-11-13-23-43-37-19-15-29(25-33(37)35-27-31(41(45)46)17-21-39(35)43)30-16-20-38-34(26-30)36-28-32(42(47)48)18-22-40(36)44(38)24-14-12-10-8-6-4-2/h15-22,25-28H,3-14,23-24H2,1-2H3,(H,45,46)(H,47,48)