Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C8H7INO3.Ca |
Molecular Weight | 624.179 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].N[C@H](C([O-])=O)C1=CC(I)=C(O)C=C1.N[C@H](C([O-])=O)C2=CC(I)=C(O)C=C2
InChI
InChIKey=LBPIOPZRLWTGRQ-UBKPKTQASA-L
InChI=1S/2C8H8INO3.Ca/c2*9-5-3-4(1-2-6(5)11)7(10)8(12)13;/h2*1-3,7,11H,10H2,(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
Molecular Formula | Ca |
Molecular Weight | 40.078 |
Charge | 2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C8H7INO3 |
Molecular Weight | 292.0506 |
Charge | -1 |
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
Fri Dec 15 15:24:22 GMT 2023
by
admin
on
Fri Dec 15 15:24:22 GMT 2023
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Record UNII |
FFG5D2B36E
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Record Status |
Validated (UNII)
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Record Version |
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-
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119026185
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FFG5D2B36E
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7681-60-9
Created by
admin on Fri Dec 15 15:24:22 GMT 2023 , Edited by admin on Fri Dec 15 15:24:22 GMT 2023
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