1,6-bis[(2,4-dinitrophenyl)amino]hexane-3,4-diol

Systemtic Name: 1,6-bis[(2,4-dinitrophenyl)amino]hexane-3,4-diol Openeye Name: 1,6-bis(2,4-dinitroanilino)hexane-3,4-diol CAS Name: 1,6-bis(2,4-dinitroanilino)hexane-3,4-diol IUPAC Name: 1,6-bis(2,4-dinitroanilino)hexane-3,4-diol Traditional Name: 1,6-bis(2,4-dinitroanilino)hexane-3,4-diol Formula: C18H20N6O10 MolecularWeight: 480.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCC(C(CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCC(C(CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O)O

InChI

InChI=1S/C18H20N6O10/c25-17(5-7-19-13-3-1-11(21(27)28)9-15(13)23(31)32)18(26)6-8-20-14-4-2-12(22(29)30)10-16(14)24(33)34/h1-4,9-10,17-20,25-26H,5-8H2