[(2S,3R,6S)-6-tert-butylperoxy-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3R,6S)-6-tert-butylperoxy-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3R,6S)-6-tert-butylperoxy-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3R,6S)-6-tert-butyldioxy-2-methyl-3,6-dihydro-2H-pyran-3-yl] ester IUPAC Name: [(2S,3R,6S)-6-tert-butylperoxy-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3R,6S)-6-tert-butylperoxy-2-methyl-3,6-dihydro-2H-pyran-3-yl] ester Formula: C17H21NO7 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=CC(O1)OOC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@@H](C=C[C@@H](O1)OOC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21NO7/c1-11-14(9-10-15(22-11)24-25-17(2,3)4)23-16(19)12-5-7-13(8-6-12)18(20)21/h5-11,14-15H,1-4H3/t11-,14+,15-/m0/s1