Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C7H13NO3S.Ca |
Molecular Weight | 422.574 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 2 |
SHOW SMILES / InChI
SMILES
[Ca++].CSCC[C@H](NC(C)=O)C(O)=O.CSCC[C@H](NC(C)=O)C(O)=O
InChI
InChIKey=RSLXYULLPVSFOZ-UAIGZDOSSA-N
InChI=1S/2C7H13NO3S.Ca/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;+2/t2*6-;/m00./s1
Approval Year
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79266-75-4
Created by
admin on Sat Dec 16 10:57:44 GMT 2023 , Edited by admin on Sat Dec 16 10:57:44 GMT 2023
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92135772
Created by
admin on Sat Dec 16 10:57:44 GMT 2023 , Edited by admin on Sat Dec 16 10:57:44 GMT 2023
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VKK65T8A9U
Created by
admin on Sat Dec 16 10:57:44 GMT 2023 , Edited by admin on Sat Dec 16 10:57:44 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD