(4-nitrophenyl) 4-bis(4-nitrophenoxy)phosphorylbutanoate

Systemtic Name: (4-nitrophenyl) 4-bis(4-nitrophenoxy)phosphorylbutanoate Openeye Name: (4-nitrophenyl) 4-bis(4-nitrophenoxy)phosphorylbutanoate CAS Name: 4-bis(4-nitrophenoxy)phosphorylbutanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-bis(4-nitrophenoxy)phosphorylbutanoate Traditional Name: 4-bis(4-nitrophenoxy)phosphorylbutyric acid (4-nitrophenyl) ester Formula: C22H18N3O11P MolecularWeight: 531.365581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCCP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCCP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N3O11P/c26-22(34-19-9-3-16(4-10-19)23(27)28)2-1-15-37(33,35-20-11-5-17(6-12-20)24(29)30)36-21-13-7-18(8-14-21)25(31)32/h3-14H,1-2,15H2