Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H17O2.Na.2H2O |
| Molecular Weight | 264.2932 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Na+].CC(C)CC1=CC=C(C=C1)C(C)C([O-])=O
InChI
InChIKey=VTGPMVCGAVZLQI-UHFFFAOYSA-M
InChI=1S/C13H18O2.Na.2H2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;;/h4-7,9-10H,8H2,1-3H3,(H,14,15);;2*1H2/q;+1;;/p-1
Approval Year
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23690315
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527688-20-6
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SUB89475
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XX-145
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CHEMBL521
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C170048
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100000140150
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RM1CE97Z4N
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RM1CE97Z4N
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SUB21665
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DBSALT001483
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admin on Fri Dec 15 18:38:43 UTC 2023 , Edited by admin on Fri Dec 15 18:38:43 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD