5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one heptahydrate

Systemtic Name: 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one heptahydrate Openeye Name: 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one heptahydrate CAS Name: 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one heptahydrate IUPAC Name: 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one heptahydrate Traditional Name: 5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one heptahydrate Formula: C6H21NO8S MolecularWeight: 267.29784

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN2C(S1)CC2=O.O.O.O.O.O.O.O

Isomeric SMILES

C1C=CN2C(S1)CC2=O.O.O.O.O.O.O.O

InChI

InChI=1S/C6H7NOS.7H2O/c8-5-4-6-7(5)2-1-3-9-6;;;;;;;/h1-2,6H,3-4H2;7*1H2