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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10S2
Molecular Weight 230.348
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of THIARUBRINE C, (E)-

SMILES

CC#CC1=CC=C(SS1)C#C\C=C\C=C

InChI

InChIKey=VWFQWQAMVFRICV-AATRIKPKSA-N
InChI=1S/C13H10S2/c1-3-5-6-7-9-13-11-10-12(8-4-2)14-15-13/h3,5-6,10-11H,1H2,2H3/b6-5+

HIDE SMILES / InChI

Molecular Formula C13H10S2
Molecular Weight 230.348
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
36D59DE461
Record Status Validated (UNII)
Record Version