U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O4
Molecular Weight 238.2796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-OXYBIS-1-PROPANOL MONOBENZOATE

SMILES

OCCCOCCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=RNCWYKPVFDLWFI-UHFFFAOYSA-N
InChI=1S/C13H18O4/c14-8-4-9-16-10-5-11-17-13(15)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2

HIDE SMILES / InChI

Molecular Formula C13H18O4
Molecular Weight 238.2796
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

Substance Class Chemical
Record UNII
Z9ONY4YSW7
Record Status Validated (UNII)
Record Version