methyl 4-(4-nitrophenyl)sulfonyloxyadamantane-2-carboxylate

Systemtic Name: methyl 4-(4-nitrophenyl)sulfonyloxyadamantane-2-carboxylate Openeye Name: methyl 4-(4-nitrophenyl)sulfonyloxyadamantane-2-carboxylate CAS Name: 4-(4-nitrophenyl)sulfonyloxy-2-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-nitrophenyl)sulfonyloxyadamantane-2-carboxylate Traditional Name: 4-nosyloxyadamantane-2-carboxylic acid methyl ester Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CC3CC(C2)C(C1C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C2CC3CC(C2)C(C1C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO7S/c1-25-18(20)16-11-6-10-7-12(9-11)17(15(16)8-10)26-27(23,24)14-4-2-13(3-5-14)19(21)22/h2-5,10-12,15-17H,6-9H2,1H3