sodium 3-[2-(1-hydroxyethyl)-5-methyl-phenyl]sulfonyloxy-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-[2-(1-hydroxyethyl)-5-methyl-phenyl]sulfonyloxy-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-[2-(1-hydroxyethyl)-5-methyl-phenyl]sulfonyloxy-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-[2-(1-hydroxyethyl)-5-methylphenyl]sulfonyloxy-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-[2-(1-hydroxyethyl)-5-methylphenyl]sulfonyloxy-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-[2-(1-hydroxyethyl)-5-methyl-phenyl]sulfonyloxy-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H16NNaO7S MolecularWeight: 389.35551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)O)S(=O)(=O)OC2=C(N3C(C2)CC3=O)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)O)S(=O)(=O)OC2=C(N3C(C2)CC3=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H17NO7S.Na/c1-8-3-4-11(9(2)18)13(5-8)25(22,23)24-12-6-10-7-14(19)17(10)15(12)16(20)21;/h3-5,9-10,18H,6-7H2,1-2H3,(H,20,21);/q;+1/p-1