1-adamantylmethyl 3-nitro-4-oxidanidylperoxysulfanyl-benzoate

Systemtic Name: 1-adamantylmethyl 3-nitro-4-oxidanidylperoxysulfanyl-benzoate Openeye Name: 1-adamantylmethyl 3-nitro-4-oxidoperoxysulfanyl-benzoate CAS Name: 3-nitro-4-(oxidodioxythio)benzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 3-nitro-4-oxidoperoxysulfanylbenzoate Traditional Name: 3-nitro-4-(oxidoperoxythio)benzoic acid 1-adamantylmethyl ester Formula: C18H20NO7S- MolecularWeight: 394.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO7S/c20-17(14-1-2-16(27-26-25-23)15(6-14)19(21)22)24-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,23H,3-5,7-10H2/p-1