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Details

Stereochemistry MIXED
Molecular Formula C11H20O2.C10H18O2
Molecular Weight 354.524
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAPHTHENIC ACID

SMILES

CCC1CCC(CCC(O)=O)C1.CCC2CCC(CCC(O)=O)CC2

InChI

InChIKey=HNNQYHFROJDYHQ-UHFFFAOYSA-N
InChI=1S/C11H20O2.C10H18O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-2-8-3-4-9(7-8)5-6-10(11)12/h9-10H,2-8H2,1H3,(H,12,13);8-9H,2-7H2,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C11H20O2
Molecular Weight 184.2753
Charge 0
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

PubMed

Substance Class Chemical
Record UNII
YNM5U6B7A4
Record Status Validated (UNII)
Record Version