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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H10N2O4S
Molecular Weight 230.241
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEACETYL-7-AMINOCEPHALOSPORANIC ACID

SMILES

[H][C@]12SCC(CO)=C(N1C(=O)[C@H]2N)C(O)=O

InChI

InChIKey=BQIMPGFMMOZASS-CLZZGJSISA-N
InChI=1S/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)/t4-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H10N2O4S
Molecular Weight 230.241
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
57NLN1Y39I
Record Status Validated (UNII)
Record Version