[(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] [(4-bromanyl-2-nitro-5-oxidanyl-phenyl)-phenyl-methyl] hydrogen phosphate

Systemtic Name: [(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] [(4-bromanyl-2-nitro-5-oxidanyl-phenyl)-phenyl-methyl] hydrogen phosphate Openeye Name: [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] [(4-bromo-5-hydroxy-2-nitro-phenyl)-phenyl-methyl] hydrogen phosphate CAS Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] [(4-bromo-5-hydroxy-2-nitrophenyl)-phenylmethyl] hydrogen phosphate IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] [(4-bromo-5-hydroxy-2-nitrophenyl)-phenylmethyl] hydrogen phosphate Traditional Name: [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] [(4-bromo-5-hydroxy-2-nitro-phenyl)-phenyl-methyl] hydrogen phosphate Formula: C31H46BrN2O8P MolecularWeight: 685.583301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46BrN2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(35)27(33)23-41-43(39,40)42-31(24-18-15-14-16-19-24)25-21-30(36)26(32)22-28(25)34(37)38/h14-22,27,29,31,35-36H,2-13,23,33H2,1H3,(H,39,40)/b20-17+/t27-,29+,31?/m0/s1