Details
Stereochemistry | MIXED |
Molecular Formula | C18H19O5S.Na |
Molecular Weight | 370.395 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1(C)C2CCC1(CS([O-])(=O)=O)C(=O)\C2=C\C3=CC=C(C=O)C=C3
InChI
InChIKey=VHIRFFDSSUIJQZ-KYIGKLDSSA-M
InChI=1S/C18H20O5S.Na/c1-17(2)15-7-8-18(17,11-24(21,22)23)16(20)14(15)9-12-3-5-13(10-19)6-4-12;/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,21,22,23);/q;+1/p-1/b14-9+;
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H19O5S |
Molecular Weight | 347.405 |
Charge | -1 |
Count |
|
Stereochemistry | MIXED |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:32:03 GMT 2023
by
admin
on
Sat Dec 16 05:32:03 GMT 2023
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Record UNII |
035QR53X3X
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Record Status |
Validated (UNII)
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Record Version |
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-
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035QR53X3X
Created by
admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023
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146019302
Created by
admin on Sat Dec 16 05:32:03 GMT 2023 , Edited by admin on Sat Dec 16 05:32:03 GMT 2023
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