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1-adamantylmethyl 3,5-dinitrobenzoate

1-adamantylmethyl 3,5-dinitrobenzoate

Systemtic Name:1-adamantylmethyl 3,5-dinitrobenzoate
Openeye Name:1-adamantylmethyl 3,5-dinitrobenzoate
CAS Name:3,5-dinitrobenzoic acid 1-adamantylmethyl ester
IUPAC Name:1-adamantylmethyl 3,5-dinitrobenzoate
Traditional Name:3,5-dinitrobenzoic acid 1-adamantylmethyl ester
Formula: C18H20N2O6
MolecularWeight: 360.3612
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C18H20N2O6/c21-17(14-4-15(19(22)23)6-16(5-14)20(24)25)26-10-18-7-11-1-12(8-18)3-13(2-11)9-18/h4-6,11-13H,1-3,7-10H2


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