6-(4,5-dinitronaphthalen-1-yl)-2-methyl-hexa-3,5-diyn-2-ol

Systemtic Name: 6-(4,5-dinitronaphthalen-1-yl)-2-methyl-hexa-3,5-diyn-2-ol Openeye Name: 6-(4,5-dinitro-1-naphthyl)-2-methyl-hexa-3,5-diyn-2-ol CAS Name: 6-(4,5-dinitro-1-naphthalenyl)-2-methyl-2-hexa-3,5-diynol IUPAC Name: 6-(4,5-dinitronaphthalen-1-yl)-2-methylhexa-3,5-diyn-2-ol Traditional Name: 6-(4,5-dinitro-1-naphthyl)-2-methyl-hexa-3,5-diyn-2-ol Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC#CC1=C2C=CC=C(C2=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C#CC#CC1=C2C=CC=C(C2=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C17H12N2O5/c1-17(2,20)11-4-3-6-12-9-10-15(19(23)24)16-13(12)7-5-8-14(16)18(21)22/h5,7-10,20H,1-2H3