Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C18H13Cl2O4.Ca |
Molecular Weight | 768.477 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC1(CC2=CC(OCC([O-])=O)=C(Cl)C(Cl)=C2C1=O)C3=CC=CC=C3.CC4(CC5=CC(OCC([O-])=O)=C(Cl)C(Cl)=C5C4=O)C6=CC=CC=C6
InChI
InChIKey=ODXDBZSKOODCSR-UHFFFAOYSA-L
InChI=1S/2C18H14Cl2O4.Ca/c2*1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23;/h2*2-7H,8-9H2,1H3,(H,21,22);/q;;+2/p-2
Molecular Formula | C18H13Cl2O4 |
Molecular Weight | 364.199 |
Charge | -1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:55:22 GMT 2023
by
admin
on
Sat Dec 16 11:55:22 GMT 2023
|
Record UNII |
760Y5BO1L1
|
Record Status |
Validated (UNII)
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Record Version |
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-
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122129925
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108260-88-4
Created by
admin on Sat Dec 16 11:55:22 GMT 2023 , Edited by admin on Sat Dec 16 11:55:22 GMT 2023
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760Y5BO1L1
Created by
admin on Sat Dec 16 11:55:22 GMT 2023 , Edited by admin on Sat Dec 16 11:55:22 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |