diethyl 4,7-bis(3,5-ditert-butylphenoxy)-1,10-phenanthroline-3,8-dicarboxylate

Systemtic Name: diethyl 4,7-bis(3,5-ditert-butylphenoxy)-1,10-phenanthroline-3,8-dicarboxylate Openeye Name: diethyl 4,7-bis(3,5-ditert-butylphenoxy)-1,10-phenanthroline-3,8-dicarboxylate CAS Name: 4,7-bis(3,5-ditert-butylphenoxy)-1,10-phenanthroline-3,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4,7-bis(3,5-ditert-butylphenoxy)-1,10-phenanthroline-3,8-dicarboxylate Traditional Name: 4,7-bis(3,5-ditert-butylphenoxy)-1,10-phenanthroline-3,8-dicarboxylic acid diethyl ester Formula: C46H56N2O6 MolecularWeight: 732.94664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1OC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=CC4=C(C(=CN=C42)C(=O)OCC)OC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1OC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=CC4=C(C(=CN=C42)C(=O)OCC)OC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C46H56N2O6/c1-15-51-41(49)35-25-47-37-33(39(35)53-31-21-27(43(3,4)5)19-28(22-31)44(6,7)8)17-18-34-38(37)48-26-36(42(50)52-16-2)40(34)54-32-23-29(45(9,10)11)20-30(24-32)46(12,13)14/h17-26H,15-16H2,1-14H3