4-chloranyl-5,6-dihexoxy-3,8-diphenyl-1,10-phenanthroline; methanal; rhenium

Systemtic Name: 4-chloranyl-5,6-dihexoxy-3,8-diphenyl-1,10-phenanthroline; methanal; rhenium Openeye Name: 4-chloro-5,6-dihexoxy-3,8-diphenyl-1,10-phenanthroline; formaldehyde; rhenium CAS Name: 4-chloro-5,6-dihexoxy-3,8-diphenyl-1,10-phenanthroline; formaldehyde; rhenium IUPAC Name: 4-chloro-5,6-dihexoxy-3,8-diphenyl-1,10-phenanthroline; formaldehyde; rhenium Traditional Name: 4-chloro-5,6-dihexoxy-3,8-diphenyl-1,10-phenanthroline; formaldehyde; rhenium Formula: C39H45ClN2O5Re MolecularWeight: 843.445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C(=CN=C2C3=NC=C(C=C13)C4=CC=CC=C4)C5=CC=CC=C5)Cl)OCCCCCC.C=O.C=O.C=O.[Re]

Isomeric SMILES

CCCCCCOC1=C(C2=C(C(=CN=C2C3=NC=C(C=C13)C4=CC=CC=C4)C5=CC=CC=C5)Cl)OCCCCCC.C=O.C=O.C=O.[Re]

InChI

InChI=1S/C36H39ClN2O2.3CH2O.Re/c1-3-5-7-15-21-40-35-29-23-28(26-17-11-9-12-18-26)24-38-33(29)34-31(36(35)41-22-16-8-6-4-2)32(37)30(25-39-34)27-19-13-10-14-20-27;3*1-2;/h9-14,17-20,23-25H,3-8,15-16,21-22H2,1-2H3;3*1H2;