Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C10H12O2.C5H11NO2S |
Molecular Weight | 313.412 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCC[C@H](N)C(O)=O.OC(=O)CCCC1=CC=CC=C1
InChI
InChIKey=MGJKPPXNDUHFBD-VWMHFEHESA-N
InChI=1S/C10H12O2.C5H11NO2S/c11-10(12)8-4-7-9-5-2-1-3-6-9;1-9-3-2-4(6)5(7)8/h1-3,5-6H,4,7-8H2,(H,11,12);4H,2-3,6H2,1H3,(H,7,8)/t;4-/m.0/s1
Approval Year
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P3LLJ7J1PX
Created by
admin on Sat Dec 16 13:46:07 UTC 2023 , Edited by admin on Sat Dec 16 13:46:07 UTC 2023
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139593547
Created by
admin on Sat Dec 16 13:46:07 UTC 2023 , Edited by admin on Sat Dec 16 13:46:07 UTC 2023
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PRIMARY |
SUBSTANCE RECORD