1-[(3-diethoxyphosphorylphenoxy)-(3-nitrophenyl)phosphoryl]-3-nitro-benzene

Systemtic Name: 1-[(3-diethoxyphosphorylphenoxy)-(3-nitrophenyl)phosphoryl]-3-nitro-benzene Openeye Name: 1-[(3-diethoxyphosphorylphenoxy)-(3-nitrophenyl)phosphoryl]-3-nitro-benzene CAS Name: 1-[(3-diethoxyphosphorylphenoxy)-(3-nitrophenyl)phosphoryl]-3-nitrobenzene IUPAC Name: 1-[(3-diethoxyphosphorylphenoxy)-(3-nitrophenyl)phosphoryl]-3-nitrobenzene Traditional Name: 1-[(3-diethoxyphosphorylphenoxy)-(3-nitrophenyl)phosphoryl]-3-nitro-benzene Formula: C22H22N2O9P2 MolecularWeight: 520.365602

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC(=C1)OP(=O)(C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC(=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C1=CC=CC(=C1)OP(=O)(C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC(=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H22N2O9P2/c1-3-31-35(30,32-4-2)22-13-7-10-19(16-22)33-34(29,20-11-5-8-17(14-20)23(25)26)21-12-6-9-18(15-21)24(27)28/h5-16H,3-4H2,1-2H3