(2S,3S,4R)-5,6,6-trideuterio-2-[(2,4-dinitrophenyl)amino]octadecane-1,3,4-triol

Systemtic Name: (2S,3S,4R)-5,6,6-trideuterio-2-[(2,4-dinitrophenyl)amino]octadecane-1,3,4-triol Openeye Name: (2S,3S,4R)-5,6,6-trideuterio-2-(2,4-dinitroanilino)octadecane-1,3,4-triol CAS Name: (2S,3S,4R)-5,6,6-trideuterio-2-(2,4-dinitroanilino)octadecane-1,3,4-triol IUPAC Name: (2S,3S,4R)-5,6,6-trideuterio-2-(2,4-dinitroanilino)octadecane-1,3,4-triol Traditional Name: (2S,3S,4R)-5,6,6-trideuterio-2-(2,4-dinitroanilino)octadecane-1,3,4-triol Formula: C24H41N3O7 MolecularWeight: 486.616725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O)O

Isomeric SMILES

[2H]C([C@H]([C@H]([C@H](CO)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O)O)C([2H])([2H])CCCCCCCCCCCC

InChI

InChI=1S/C24H41N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23(29)24(30)21(18-28)25-20-16-15-19(26(31)32)17-22(20)27(33)34/h15-17,21,23-25,28-30H,2-14,18H2,1H3/t21-,23+,24-/m0/s1/i13D2,14D/t14?,21-,23+,24-