tert-butyl (1R)-1-(2,4-dinitrophenyl)sulfanyl-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: tert-butyl (1R)-1-(2,4-dinitrophenyl)sulfanyl-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: tert-butyl (1R)-1-(2,4-dinitrophenyl)sulfanyl-2-oxo-cyclopentanecarboxylate CAS Name: (1R)-1-[(2,4-dinitrophenyl)thio]-2-oxo-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-1-(2,4-dinitrophenyl)sulfanyl-2-oxocyclopentane-1-carboxylate Traditional Name: (1R)-1-[(2,4-dinitrophenyl)thio]-2-keto-cyclopentanecarboxylic acid tert-butyl ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCC1=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@]1(CCCC1=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7S/c1-15(2,3)25-14(20)16(8-4-5-13(16)19)26-12-7-6-10(17(21)22)9-11(12)18(23)24/h6-7,9H,4-5,8H2,1-3H3/t16-/m1/s1