4,7-bis(4-tert-butylphenyl)-5-chloranyl-1,10-phenanthroline; methanal; rhenium

Systemtic Name: 4,7-bis(4-tert-butylphenyl)-5-chloranyl-1,10-phenanthroline; methanal; rhenium Openeye Name: 4,7-bis(4-tert-butylphenyl)-5-chloro-1,10-phenanthroline; formaldehyde; rhenium CAS Name: 4,7-bis(4-tert-butylphenyl)-5-chloro-1,10-phenanthroline; formaldehyde; rhenium IUPAC Name: 4,7-bis(4-tert-butylphenyl)-5-chloro-1,10-phenanthroline; formaldehyde; rhenium Traditional Name: 4,7-bis(4-tert-butylphenyl)-5-chloro-1,10-phenanthroline; formaldehyde; rhenium Formula: C35H37ClN2O3Re MolecularWeight: 755.33988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C=C(C4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)C(C)(C)C)Cl.C=O.C=O.C=O.[Re]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C=C(C4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)C(C)(C)C)Cl.C=O.C=O.C=O.[Re]

InChI

InChI=1S/C32H31ClN2.3CH2O.Re/c1-31(2,3)22-11-7-20(8-12-22)24-15-17-34-29-26(24)19-27(33)28-25(16-18-35-30(28)29)21-9-13-23(14-10-21)32(4,5)6;3*1-2;/h7-19H,1-6H3;3*1H2;