5-chloranyl-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline; methanal; rhenium

Systemtic Name: 5-chloranyl-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline; methanal; rhenium Openeye Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline; formaldehyde; rhenium CAS Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline; formaldehyde; rhenium IUPAC Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline; formaldehyde; rhenium Traditional Name: 5-chloro-3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline; formaldehyde; rhenium Formula: C39H45ClN2O3Re MolecularWeight: 811.4462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C3C(=C(C=NC3=C2N=C1)CCCCCC)C4=CC=CC=C4)Cl)C5=CC=CC=C5.C=O.C=O.C=O.[Re]

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C3C(=C(C=NC3=C2N=C1)CCCCCC)C4=CC=CC=C4)Cl)C5=CC=CC=C5.C=O.C=O.C=O.[Re]

InChI

InChI=1S/C36H39ClN2.3CH2O.Re/c1-3-5-7-11-21-28-24-38-35-30(32(28)26-17-13-9-14-18-26)23-31(37)34-33(27-19-15-10-16-20-27)29(25-39-36(34)35)22-12-8-6-4-2;3*1-2;/h9-10,13-20,23-25H,3-8,11-12,21-22H2,1-2H3;3*1H2;