6-nitrooxyhexyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate

Systemtic Name: 6-nitrooxyhexyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate Openeye Name: 6-nitrooxyhexyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoate CAS Name: (2S)-2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate Traditional Name: (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propionic acid 6-nitrooxyhexyl ester Formula: C28H33N3O9 MolecularWeight: 555.57632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC(C(=O)OCCCCCCO[N+](=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)O[C@H](C(=O)OCCCCCCO[N+](=O)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C28H33N3O9/c1-35-23-20-24(36-2)30-27(29-23)40-25(26(32)38-18-12-4-5-13-19-39-31(33)34)28(37-3,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-11,14-17,20,25H,4-5,12-13,18-19H2,1-3H3/t25-/m1/s1