3-(4-butoxybutoxy)-8-octoxy-4,7-phenanthroline

Systemtic Name: 3-(4-butoxybutoxy)-8-octoxy-4,7-phenanthroline Openeye Name: 3-(4-butoxybutoxy)-8-octoxy-4,7-phenanthroline CAS Name: 3-(4-butoxybutoxy)-8-octoxy-4,7-phenanthroline IUPAC Name: 3-(4-butoxybutoxy)-8-octoxy-4,7-phenanthroline Traditional Name: 3-(4-butoxybutoxy)-8-octoxy-4,7-phenanthroline Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC2=C(C=C1)C3=C(C=C2)N=C(C=C3)OCCCCOCCCC

Isomeric SMILES

CCCCCCCCOC1=NC2=C(C=C1)C3=C(C=C2)N=C(C=C3)OCCCCOCCCC

InChI

InChI=1S/C28H40N2O3/c1-3-5-7-8-9-10-21-32-27-17-13-23-24-14-18-28(30-26(24)16-15-25(23)29-27)33-22-12-11-20-31-19-6-4-2/h13-18H,3-12,19-22H2,1-2H3