[(3S)-3-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)propyl] 4-nitrobenzoate

Systemtic Name: [(3S)-3-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)propyl] 4-nitrobenzoate Openeye Name: [(3S)-3-diisopropoxyphosphoryl-3-(2-furyl)propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-3-di(propan-2-yloxy)phosphoryl-3-(2-furanyl)propyl] ester IUPAC Name: [(3S)-3-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-3-diisopropoxyphosphoryl-3-(2-furyl)propyl] ester Formula: C20H26NO8P MolecularWeight: 439.396101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CO2)OC(C)C

Isomeric SMILES

CC(C)OP(=O)([C@@H](CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CO2)OC(C)C

InChI

InChI=1S/C20H26NO8P/c1-14(2)28-30(25,29-15(3)4)19(18-6-5-12-26-18)11-13-27-20(22)16-7-9-17(10-8-16)21(23)24/h5-10,12,14-15,19H,11,13H2,1-4H3/t19-/m0/s1