2-chloranyl-6-oxidanylidene-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 2-chloranyl-6-oxidanylidene-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-benzyloxycarbonyl-2-chloro-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 2-chloro-6-oxo-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 2-chloro-6-oxo-4-phenylmethoxycarbonyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 4-carbobenzoxy-2-chloro-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H13ClN2O6S MolecularWeight: 360.77012

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(N1C(=O)OCC3=CC=CC=C3)C(=O)N2S(=O)(=O)O)Cl

Isomeric SMILES

C1C(C2C(N1C(=O)OCC3=CC=CC=C3)C(=O)N2S(=O)(=O)O)Cl

InChI

InChI=1S/C13H13ClN2O6S/c14-9-6-15(11-10(9)16(12(11)17)23(19,20)21)13(18)22-7-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,19,20,21)