1,4-bis(9-butylcarbazol-3-yl)-2,3-bis(oxidanyl)butane-1,4-dione

Systemtic Name: 1,4-bis(9-butylcarbazol-3-yl)-2,3-bis(oxidanyl)butane-1,4-dione Openeye Name: 1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxy-butane-1,4-dione CAS Name: 1,4-bis(9-butyl-3-carbazolyl)-2,3-dihydroxybutane-1,4-dione IUPAC Name: 1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione Traditional Name: 1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxy-butane-1,4-dione Formula: C36H36N2O4 MolecularWeight: 560.68204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)C(C(C(=O)C3=CC4=C(C=C3)N(C5=CC=CC=C54)CCCC)O)O)C6=CC=CC=C61

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)C(C(C(=O)C3=CC4=C(C=C3)N(C5=CC=CC=C54)CCCC)O)O)C6=CC=CC=C61

InChI

InChI=1S/C36H36N2O4/c1-3-5-19-37-29-13-9-7-11-25(29)27-21-23(15-17-31(27)37)33(39)35(41)36(42)34(40)24-16-18-32-28(22-24)26-12-8-10-14-30(26)38(32)20-6-4-2/h7-18,21-22,35-36,41-42H,3-6,19-20H2,1-2H3