Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C16H16ClNO2S.C10H8O6S2 |
Molecular Weight | 931.94 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.COC(=O)[C@@H](N3CCC4=C(C3)C=CS4)C5=CC=CC=C5Cl.COC(=O)[C@@H](N6CCC7=C(C6)C=CS7)C8=CC=CC=C8Cl
InChI
InChIKey=UNGVWAKVHQSXGE-ZFQYHYQMSA-N
InChI=1S/2C16H16ClNO2S.C10H8O6S2/c2*1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*2-5,7,9,15H,6,8,10H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)/t2*15-;/m00./s1
Molecular Formula | C10H8O6S2 |
Molecular Weight | 288.297 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H16ClNO2S |
Molecular Weight | 321.822 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:11:07 UTC 2023
by
admin
on
Sat Dec 16 18:11:07 UTC 2023
|
Record UNII |
MP4UYS4N4U
|
Record Status |
Validated (UNII)
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Record Version |
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-
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164888948
Created by
admin on Sat Dec 16 18:11:07 UTC 2023 , Edited by admin on Sat Dec 16 18:11:07 UTC 2023
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945775-34-8
Created by
admin on Sat Dec 16 18:11:07 UTC 2023 , Edited by admin on Sat Dec 16 18:11:07 UTC 2023
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PRIMARY | |||
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MP4UYS4N4U
Created by
admin on Sat Dec 16 18:11:07 UTC 2023 , Edited by admin on Sat Dec 16 18:11:07 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
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