[(2R,3R,4R,6S)-2-butyl-6-methoxy-3-(4-methoxyphenyl)carbonyloxy-oxan-4-yl] 4-nitrobenzoate

Systemtic Name: [(2R,3R,4R,6S)-2-butyl-6-methoxy-3-(4-methoxyphenyl)carbonyloxy-oxan-4-yl] 4-nitrobenzoate Openeye Name: [(2R,3R,4R,6S)-2-butyl-6-methoxy-3-(4-methoxybenzoyl)oxy-tetrahydropyran-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3R,4R,6S)-2-butyl-6-methoxy-3-[(4-methoxyphenyl)-oxomethoxy]-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,6S)-2-butyl-6-methoxy-3-(4-methoxybenzoyl)oxyoxan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3R,4R,6S)-2-butyl-6-methoxy-3-p-anisoyloxy-tetrahydropyran-4-yl] ester Formula: C25H29NO9 MolecularWeight: 487.49906

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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-])OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC[C@@H]1[C@H]([C@@H](C[C@H](O1)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29NO9/c1-4-5-6-20-23(35-25(28)17-9-13-19(31-2)14-10-17)21(15-22(32-3)33-20)34-24(27)16-7-11-18(12-8-16)26(29)30/h7-14,20-23H,4-6,15H2,1-3H3/t20-,21-,22+,23-/m1/s1