N-[1-hexadecoxy-3-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-propan-2-yl]-8-perylen-3-yl-octanamide

Systemtic Name: N-[1-hexadecoxy-3-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-propan-2-yl]-8-perylen-3-yl-octanamide Openeye Name: N-[1-(hexadecoxymethyl)-2-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-ethyl]-8-perylen-3-yl-octanamide CAS Name: N-[1-hexadecoxy-3-[hexyl-(4-nitrophenoxy)phosphoryl]oxypropan-2-yl]-8-(3-perylenyl)octanamide IUPAC Name: N-[1-hexadecoxy-3-[hexyl-(4-nitrophenoxy)phosphoryl]oxypropan-2-yl]-8-perylen-3-yloctanamide Traditional Name: N-[1-(cetyloxymethyl)-2-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-ethyl]-8-perylen-3-yl-caprylamide Formula: C59H81N2O7P MolecularWeight: 961.257401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCCCC)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCCCC2=CC=C3C4=CC=CC5=C4C(=CC=C5)C6=C3C2=CC=C6

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCCCC)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCCCC2=CC=C3C4=CC=CC5=C4C(=CC=C5)C6=C3C2=CC=C6

InChI

InChI=1S/C59H81N2O7P/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-24-43-66-45-49(46-67-69(65,44-25-8-6-4-2)68-51-40-38-50(39-41-51)61(63)64)60-57(62)36-23-20-18-19-22-29-47-37-42-56-54-34-27-31-48-30-26-33-53(58(48)54)55-35-28-32-52(47)59(55)56/h26-28,30-35,37-42,49H,3-25,29,36,43-46H2,1-2H3,(H,60,62)