sodium 3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-phenyl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-oxidanylidene-2-phenyl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-(1-hydroxy-2-oxo-2-phenyl-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-(1-hydroxy-2-oxo-2-phenylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-(1-hydroxy-2-oxo-2-phenylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-(1-hydroxy-2-keto-2-phenyl-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C16H16NNaO5S MolecularWeight: 357.35671

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)C3=CC=CC=C3)O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)C3=CC=CC=C3)O)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H17NO5S.Na/c1-16(2)12(15(21)22)17-13(20)9(14(17)23-16)11(19)10(18)8-6-4-3-5-7-8;/h3-7,9,11-12,14,19H,1-2H3,(H,21,22);/q;+1/p-1