(2S,3R,4R,5S,6R)-3-[(2,4-dinitrophenyl)amino]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Systemtic Name: (2S,3R,4R,5S,6R)-3-[(2,4-dinitrophenyl)amino]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol Openeye Name: (2S,3R,4R,5S,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-3-(2,4-dinitroanilino)tetrahydropyran-2-ol CAS Name: (2S,3R,4R,5S,6R)-3-(2,4-dinitroanilino)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanol IUPAC Name: (2S,3R,4R,5S,6R)-3-(2,4-dinitroanilino)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol Traditional Name: (2S,3R,4R,5S,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-3-(2,4-dinitroanilino)tetrahydropyran-2-ol Formula: C33H33N3O9 MolecularWeight: 615.62982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O9/c37-33-30(34-27-17-16-26(35(38)39)18-28(27)36(40)41)32(44-21-25-14-8-3-9-15-25)31(43-20-24-12-6-2-7-13-24)29(45-33)22-42-19-23-10-4-1-5-11-23/h1-18,29-34,37H,19-22H2/t29-,30-,31-,32-,33+/m1/s1