[2-(3-nitrophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-nitrophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-nitrophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-nitrophenyl)-1-phenoxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-nitrophenyl)-1-phenoxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-nitrophenyl)-1-phenoxy-1-phosphono-ethyl]phosphonic acid Formula: C14H15NO9P2 MolecularWeight: 403.217722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC2=CC(=CC=C2)[N+](=O)[O-])(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CC2=CC(=CC=C2)[N+](=O)[O-])(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H15NO9P2/c16-15(17)12-6-4-5-11(9-12)10-14(25(18,19)20,26(21,22)23)24-13-7-2-1-3-8-13/h1-9H,10H2,(H2,18,19,20)(H2,21,22,23)