[(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] bis[1-(2-nitrophenyl)ethyl] phosphate

Systemtic Name: [(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] bis[1-(2-nitrophenyl)ethyl] phosphate Openeye Name: [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] bis[1-(2-nitrophenyl)ethyl] phosphate CAS Name: phosphoric acid [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] bis[1-(2-nitrophenyl)ethyl] ester IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] bis[1-(2-nitrophenyl)ethyl] phosphate Traditional Name: phosphoric acid [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] bis[1-(2-nitrophenyl)ethyl] ester Formula: C34H52N3O9P MolecularWeight: 677.765141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(OC(C)C1=CC=CC=C1[N+](=O)[O-])OC(C)C2=CC=CC=C2[N+](=O)[O-])N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC(C)C1=CC=CC=C1[N+](=O)[O-])OC(C)C2=CC=CC=C2[N+](=O)[O-])N)O

InChI

InChI=1S/C34H52N3O9P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-34(38)31(35)26-44-47(43,45-27(2)29-21-17-19-23-32(29)36(39)40)46-28(3)30-22-18-20-24-33(30)37(41)42/h16-25,27-28,31,34,38H,4-15,26,35H2,1-3H3/b25-16+/t27?,28?,31-,34+,47?/m0/s1