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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O3
Molecular Weight 236.3068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYLPARABEN

SMILES

CCCCCCCOC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=ZTJORNVITHUQJA-UHFFFAOYSA-N
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H20O3
Molecular Weight 236.3068
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
K2CIJ448IX
Record Status Validated (UNII)
Record Version