sodium (1R,6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanylidene-5,8-diazabicyclo[4.2.0]octane-8-sulfonate

Systemtic Name: sodium (1R,6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanylidene-5,8-diazabicyclo[4.2.0]octane-8-sulfonate Openeye Name: sodium (1R,6S)-5-tert-butoxycarbonyl-7-oxo-5,8-diazabicyclo[4.2.0]octane-8-sulfonate CAS Name: sodium (1R,6S)-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-7-oxo-5,8-diazabicyclo[4.2.0]octane-8-sulfonate IUPAC Name: sodium (1R,6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxo-5,8-diazabicyclo[4.2.0]octane-8-sulfonate Traditional Name: sodium (1R,6S)-5-tert-butoxycarbonyl-7-keto-5,8-diazabicyclo[4.2.0]octane-8-sulfonate Formula: C11H17N2NaO6S MolecularWeight: 328.31725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2C1C(=O)N2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H18N2O6S.Na/c1-11(2,3)19-10(15)12-6-4-5-7-8(12)9(14)13(7)20(16,17)18;/h7-8H,4-6H2,1-3H3,(H,16,17,18);/q;+1/p-1/t7-,8+;/m1./s1