N-[1-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-3-octoxy-propan-2-yl]-4-perylen-3-yl-butanamide

Systemtic Name: N-[1-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-3-octoxy-propan-2-yl]-4-perylen-3-yl-butanamide Openeye Name: N-[1-[[hexyl-(4-nitrophenoxy)phosphoryl]oxymethyl]-2-octoxy-ethyl]-4-perylen-3-yl-butanamide CAS Name: N-[1-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-3-octoxypropan-2-yl]-4-(3-perylenyl)butanamide IUPAC Name: N-[1-[hexyl-(4-nitrophenoxy)phosphoryl]oxy-3-octoxypropan-2-yl]-4-perylen-3-ylbutanamide Traditional Name: N-[1-[[hexyl-(4-nitrophenoxy)phosphoryl]oxymethyl]-2-octoxy-ethyl]-4-perylen-3-yl-butyramide Formula: C47H57N2O7P MolecularWeight: 792.938441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(COP(=O)(CCCCCC)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCC2=CC=C3C4=CC=CC5=C4C(=CC=C5)C6=C3C2=CC=C6

Isomeric SMILES

CCCCCCCCOCC(COP(=O)(CCCCCC)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCC2=CC=C3C4=CC=CC5=C4C(=CC=C5)C6=C3C2=CC=C6

InChI

InChI=1S/C47H57N2O7P/c1-3-5-7-9-10-11-31-54-33-37(34-55-57(53,32-12-8-6-4-2)56-39-28-26-38(27-29-39)49(51)52)48-45(50)24-15-17-35-25-30-44-42-22-14-19-36-18-13-21-41(46(36)42)43-23-16-20-40(35)47(43)44/h13-14,16,18-23,25-30,37H,3-12,15,17,24,31-34H2,1-2H3,(H,48,50)