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

Systemtic Name: N-[1-[hexadecyl-(4-nitrophenoxy)phosphoryl]oxy-3-hexoxy-propan-2-yl]-8-perylen-3-yl-octanamide Openeye Name: N-[1-[[hexadecyl-(4-nitrophenoxy)phosphoryl]oxymethyl]-2-hexoxy-ethyl]-8-perylen-3-yl-octanamide CAS Name: N-[1-[hexadecyl-(4-nitrophenoxy)phosphoryl]oxy-3-hexoxypropan-2-yl]-8-(3-perylenyl)octanamide IUPAC Name: N-[1-[hexadecyl-(4-nitrophenoxy)phosphoryl]oxy-3-hexoxypropan-2-yl]-8-perylen-3-yloctanamide Traditional Name: N-[1-[[cetyl-(4-nitrophenoxy)phosphoryl]oxymethyl]-2-hexoxy-ethyl]-8-perylen-3-yl-caprylamide Formula: C59H81N2O7P MolecularWeight: 961.257401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCP(=O)(OCC(COCCCCCC)NC(=O)CCCCCCCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCP(=O)(OCC(COCCCCCC)NC(=O)CCCCCCCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C59H81N2O7P/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-44-69(65,68-51-40-38-50(39-41-51)61(63)64)67-46-49(45-66-43-24-8-6-4-2)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)