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Details

Stereochemistry RACEMIC
Molecular Formula C11H17O4.Na
Molecular Weight 236.24
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1-methylcamphorate

SMILES

[Na+].COC(=O)[C@]1(C)CC[C@H](C([O-])=O)C1(C)C

InChI

InChIKey=PKYIOHOCVMTMTM-YERNIVPCSA-M
InChI=1S/C11H18O4.Na/c1-10(2)7(8(12)13)5-6-11(10,3)9(14)15-4;/h7H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1/t7-,11+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C11H17O4
Molecular Weight 213.2503
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
XG6T6VC6QL
Record Status Validated (UNII)
Record Version