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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H10BrNO5S
Molecular Weight 312.138
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRL-28712

SMILES

[H][C@@]12[C@H](Br)C(=O)N1[C@@H](C(O)=O)C(C)(C)S2(=O)=O

InChI

InChIKey=PRRXJFSPPODDDK-ALEPSDHESA-N
InChI=1S/C8H10BrNO5S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)16(8,14)15/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H10BrNO5S
Molecular Weight 312.138
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GCZ0SHH2N6
Record Status Validated (UNII)
Record Version