2,4-dinitrophenol; 1,4,7,10,13,16-hexaoxacyclooctadecane; dihydrate

Systemtic Name: 2,4-dinitrophenol; 1,4,7,10,13,16-hexaoxacyclooctadecane; dihydrate Openeye Name: 2,4-dinitrophenol; 1,4,7,10,13,16-hexaoxacyclooctadecane; dihydrate CAS Name: 2,4-dinitrophenol; 1,4,7,10,13,16-hexaoxacyclooctadecane; dihydrate IUPAC Name: 2,4-dinitrophenol; 1,4,7,10,13,16-hexaoxacyclooctadecane; dihydrate Traditional Name: 18-crown-6; 2,4-dinitrophenol; dihydrate Formula: C24H36N4O18 MolecularWeight: 668.55864

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCOCCOCCO1.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O.O.O

Isomeric SMILES

C1COCCOCCOCCOCCOCCO1.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O.O.O

InChI

InChI=1S/C12H24O6.2C6H4N2O5.2H2O/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*9-6-2-1-4(7(10)11)3-5(6)8(12)13;;/h1-12H2;2*1-3,9H;2*1H2