sodium; actinium; 3-(hydroxymethyl)-8-oxidanylidene-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium; actinium; 3-(hydroxymethyl)-8-oxidanylidene-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium; actinium; 3-(hydroxymethyl)-7-isopropylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium; actinium; 3-(hydroxymethyl)-8-oxo-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium; actinium; 3-(hydroxymethyl)-8-oxo-7-propan-2-ylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium; actinium; 7-isopropylidene-8-keto-3-methylol-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C11H12AcNNaO4S MolecularWeight: 504.299797

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2N(C1=O)C(=C(CS2)CO)C(=O)[O-])C.[Na+].[Ac]

Isomeric SMILES

CC(=C1C2N(C1=O)C(=C(CS2)CO)C(=O)[O-])C.[Na+].[Ac]

InChI

InChI=1S/C11H13NO4S.Ac.Na/c1-5(2)7-9(14)12-8(11(15)16)6(3-13)4-17-10(7)12;;/h10,13H,3-4H2,1-2H3,(H,15,16);;/q;;+1/p-1