tert-butyl 2-diethoxyphosphoryl-3-(4-nitrophenyl)-5-oxidanyl-hexanoate

Systemtic Name: tert-butyl 2-diethoxyphosphoryl-3-(4-nitrophenyl)-5-oxidanyl-hexanoate Openeye Name: tert-butyl 2-diethoxyphosphoryl-5-hydroxy-3-(4-nitrophenyl)hexanoate CAS Name: 2-diethoxyphosphoryl-5-hydroxy-3-(4-nitrophenyl)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-diethoxyphosphoryl-5-hydroxy-3-(4-nitrophenyl)hexanoate Traditional Name: 2-diethoxyphosphoryl-5-hydroxy-3-(4-nitrophenyl)hexanoic acid tert-butyl ester Formula: C20H32NO8P MolecularWeight: 445.443741

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(CC(C)O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(C(C(CC(C)O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C20H32NO8P/c1-7-27-30(26,28-8-2)18(19(23)29-20(4,5)6)17(13-14(3)22)15-9-11-16(12-10-15)21(24)25/h9-12,14,17-18,22H,7-8,13H2,1-6H3