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

Systemtic Name: N-[1-hexoxy-3-[(4-nitrophenoxy)-octyl-phosphoryl]oxy-propan-2-yl]-4-perylen-3-yl-butanamide Openeye Name: N-[1-(hexoxymethyl)-2-[(4-nitrophenoxy)-octyl-phosphoryl]oxy-ethyl]-4-perylen-3-yl-butanamide CAS Name: N-[1-hexoxy-3-[(4-nitrophenoxy)-octylphosphoryl]oxypropan-2-yl]-4-(3-perylenyl)butanamide IUPAC Name: N-[1-hexoxy-3-[(4-nitrophenoxy)-octylphosphoryl]oxypropan-2-yl]-4-perylen-3-ylbutanamide Traditional Name: N-[1-(hexoxymethyl)-2-[(4-nitrophenoxy)-octyl-phosphoryl]oxy-ethyl]-4-perylen-3-yl-butyramide Formula: C47H57N2O7P MolecularWeight: 792.938441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCP(=O)(OCC(COCCCCCC)NC(=O)CCCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCP(=O)(OCC(COCCCCCC)NC(=O)CCCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C47H57N2O7P/c1-3-5-7-9-10-12-32-57(53,56-39-28-26-38(27-29-39)49(51)52)55-34-37(33-54-31-11-8-6-4-2)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)