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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H11NOS2
Molecular Weight 177.288
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SULFORAPHANE, (S)-

SMILES

C[S@+]([O-])CCCCN=C=S

InChI

InChIKey=SUVMJBTUFCVSAD-JTQLQIEISA-N
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H11NOS2
Molecular Weight 177.288
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7J94TPZ10L
Record Status Validated (UNII)
Record Version