[(2R,3R,6S)-2-butyl-6-methoxy-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate

Systemtic Name: [(2R,3R,6S)-2-butyl-6-methoxy-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Openeye Name: [(2R,3R,6S)-2-butyl-6-methoxy-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3R,6S)-2-butyl-6-methoxy-3,6-dihydro-2H-pyran-3-yl] ester IUPAC Name: [(2R,3R,6S)-2-butyl-6-methoxy-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3R,6S)-2-butyl-6-methoxy-3,6-dihydro-2H-pyran-3-yl] ester Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C=CC(O1)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6/c1-3-4-5-14-15(10-11-16(22-2)23-14)24-17(19)12-6-8-13(9-7-12)18(20)21/h6-11,14-16H,3-5H2,1-2H3/t14-,15-,16+/m1/s1