5-[(2,4-dinitrophenyl)amino]hexane-1,2,3,4,6-pentol

Systemtic Name: 5-[(2,4-dinitrophenyl)amino]hexane-1,2,3,4,6-pentol Openeye Name: 5-(2,4-dinitroanilino)hexane-1,2,3,4,6-pentol CAS Name: 5-(2,4-dinitroanilino)hexane-1,2,3,4,6-pentol IUPAC Name: 5-(2,4-dinitroanilino)hexane-1,2,3,4,6-pentol Traditional Name: 5-(2,4-dinitroanilino)hexane-1,2,3,4,6-pentol Formula: C12H17N3O9 MolecularWeight: 347.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(C(C(CO)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(C(C(CO)O)O)O

InChI

InChI=1S/C12H17N3O9/c16-4-8(11(19)12(20)10(18)5-17)13-7-2-1-6(14(21)22)3-9(7)15(23)24/h1-3,8,10-13,16-20H,4-5H2