2,4-dinitroaniline; 1,4,7,10,13,16-hexaoxacyclooctadecane

Systemtic Name: 2,4-dinitroaniline; 1,4,7,10,13,16-hexaoxacyclooctadecane Openeye Name: 2,4-dinitroaniline; 1,4,7,10,13,16-hexaoxacyclooctadecane CAS Name: 2,4-dinitroaniline; 1,4,7,10,13,16-hexaoxacyclooctadecane IUPAC Name: 2,4-dinitroaniline; 1,4,7,10,13,16-hexaoxacyclooctadecane Traditional Name: 18-crown-6; (2,4-dinitrophenyl)amine Formula: C24H34N6O14 MolecularWeight: 630.55856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24O6.2C6H5N3O4/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-12H2;2*1-3H,7H2