2-methylhexan-2-yl 3,5-dinitrobenzoate

Systemtic Name: 2-methylhexan-2-yl 3,5-dinitrobenzoate Openeye Name: 1,1-dimethylpentyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-methylhexan-2-yl ester IUPAC Name: 2-methylhexan-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1,1-dimethylpentyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(C)(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6/c1-4-5-6-14(2,3)22-13(17)10-7-11(15(18)19)9-12(8-10)16(20)21/h7-9H,4-6H2,1-3H3