11-[10-(11-methoxyundecyl)phenazin-5-yl]undecyl 3,3-dimethyl-5-oxidanylidene-hexanoate

Systemtic Name: 11-[10-(11-methoxyundecyl)phenazin-5-yl]undecyl 3,3-dimethyl-5-oxidanylidene-hexanoate Openeye Name: 11-[10-(11-methoxyundecyl)phenazin-5-yl]undecyl 3,3-dimethyl-5-oxo-hexanoate CAS Name: 3,3-dimethyl-5-oxohexanoic acid 11-[10-(11-methoxyundecyl)-5-phenazinyl]undecyl ester IUPAC Name: 11-[10-(11-methoxyundecyl)phenazin-5-yl]undecyl 3,3-dimethyl-5-oxohexanoate Traditional Name: 5-keto-3,3-dimethyl-hexanoic acid 11-[10-(11-methoxyundecyl)phenazin-5-yl]undecyl ester Formula: C43H68N2O4 MolecularWeight: 677.01102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)CC(=O)OCCCCCCCCCCCN1C2=CC=CC=C2N(C3=CC=CC=C31)CCCCCCCCCCCOC

Isomeric SMILES

CC(=O)CC(C)(C)CC(=O)OCCCCCCCCCCCN1C2=CC=CC=C2N(C3=CC=CC=C31)CCCCCCCCCCCOC

InChI

InChI=1S/C43H68N2O4/c1-37(46)35-43(2,3)36-42(47)49-34-26-18-14-10-6-8-12-16-24-32-45-40-29-21-19-27-38(40)44(39-28-20-22-30-41(39)45)31-23-15-11-7-5-9-13-17-25-33-48-4/h19-22,27-30H,5-18,23-26,31-36H2,1-4H3