Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H18ClNS.C6H8O7 |
Molecular Weight | 507.984 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CC\C=C1\C2=CC=CC=C2SC3=C1C=C(Cl)C=C3
InChI
InChIKey=VLSAIYYYWWMOOQ-KIUKIJHYSA-N
InChI=1S/C18H18ClNS.C6H8O7/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6-10,12H,5,11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b14-7-;
Approval Year
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861959-57-1
Created by
admin on Sat Dec 16 05:49:39 GMT 2023 , Edited by admin on Sat Dec 16 05:49:39 GMT 2023
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PRIMARY | |||
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814JN9G41D
Created by
admin on Sat Dec 16 05:49:39 GMT 2023 , Edited by admin on Sat Dec 16 05:49:39 GMT 2023
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PRIMARY | |||
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24892862
Created by
admin on Sat Dec 16 05:49:39 GMT 2023 , Edited by admin on Sat Dec 16 05:49:39 GMT 2023
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PRIMARY |
SUBSTANCE RECORD