(1-methylcyclooctyl) 3,5-dinitrobenzoate

Systemtic Name: (1-methylcyclooctyl) 3,5-dinitrobenzoate Openeye Name: (1-methylcyclooctyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1-methylcyclooctyl) ester IUPAC Name: (1-methylcyclooctyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (1-methylcyclooctyl) ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCCCC1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(CCCCCCC1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-16(7-5-3-2-4-6-8-16)24-15(19)12-9-13(17(20)21)11-14(10-12)18(22)23/h9-11H,2-8H2,1H3