butoxymethylbenzene; 2-methyl-4,6-dinitro-phenol

Systemtic Name: butoxymethylbenzene; 2-methyl-4,6-dinitro-phenol Openeye Name: butoxymethylbenzene; 2-methyl-4,6-dinitro-phenol CAS Name: butoxymethylbenzene; 2-methyl-4,6-dinitrophenol IUPAC Name: butoxymethylbenzene; 2-methyl-4,6-dinitrophenol Traditional Name: butoxymethylbenzene; 2-methyl-4,6-dinitro-phenol Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CC=CC=C1.CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOCC1=CC=CC=C1.CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H16O.C7H6N2O5/c1-2-3-9-12-10-11-7-5-4-6-8-11;1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h4-8H,2-3,9-10H2,1H3;2-3,10H,1H3