[(2R,4S,6S)-2-phenacyl-6-phenyl-oxan-4-yl] 4-nitrobenzoate

Systemtic Name: [(2R,4S,6S)-2-phenacyl-6-phenyl-oxan-4-yl] 4-nitrobenzoate Openeye Name: [(2R,4S,6S)-2-phenacyl-6-phenyl-tetrahydropyran-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,4S,6S)-2-phenacyl-6-phenyl-4-oxanyl] ester IUPAC Name: [(2R,4S,6S)-2-phenacyl-6-phenyloxan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,4S,6S)-2-phenacyl-6-phenyl-tetrahydropyran-4-yl] ester Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(OC1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](C[C@H](O[C@H]1CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23NO6/c28-24(18-7-3-1-4-8-18)16-22-15-23(17-25(32-22)19-9-5-2-6-10-19)33-26(29)20-11-13-21(14-12-20)27(30)31/h1-14,22-23,25H,15-17H2/t22-,23+,25+/m1/s1