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Reference substances

Reference substances

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General information

Inventory

EC number:
213-485-0
EC name:
3-acetoxymethylen-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS number:
957-68-6

No inventory information available

Reference substance information

IUPAC name:
(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Synonyms
Names:
(6R,7R)-3-[(acetyloxy)methyl)]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS information

CAS number:
957-68-6

Molecular and structural information

Molecular formula:
C10H12N2O5S
Molecular weight:
272.278
SMILES notation:
CC(=O)OCC1=C(N2C(SC1)C(N)C2=O)C(=O)O
InChl:
InChI=1/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)
Structural formula:
Chemical structure