sodium (1R,5S)-4-tert-butylperoxycarbonyl-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate

Systemtic Name: sodium (1R,5S)-4-tert-butylperoxycarbonyl-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Openeye Name: sodium (1R,5S)-4-tert-butylperoxycarbonyl-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate CAS Name: sodium (1R,5S)-4-[tert-butyldioxy(oxo)methyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate IUPAC Name: sodium (1R,5S)-4-tert-butylperoxycarbonyl-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Traditional Name: sodium (1R,5S)-4-tert-butylperoxycarbonyl-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Formula: C10H15N2NaO7S MolecularWeight: 330.29007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC(=O)N1CCC2C1C(=O)N2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)OOC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H16N2O7S.Na/c1-10(2,3)19-18-9(14)11-5-4-6-7(11)8(13)12(6)20(15,16)17;/h6-7H,4-5H2,1-3H3,(H,15,16,17);/q;+1/p-1/t6-,7+;/m1./s1