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Details

Stereochemistry ACHIRAL
Molecular Formula C30H52N2O12
Molecular Weight 632.7401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-benzonatate

SMILES

CCCCN(N=O)C1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC

InChI

InChIKey=IMCBRCRGTUHJQN-UHFFFAOYSA-N
InChI=1S/C30H52N2O12/c1-3-4-9-32(31-34)29-7-5-28(6-8-29)30(33)44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35-2/h5-8H,3-4,9-27H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C30H52N2O12
Molecular Weight 632.7401
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:56:06 GMT 2025
Edited
by admin
on Wed Apr 02 17:56:06 GMT 2025
Record UNII
3H6AZZ4N4T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-benzonatate
Preferred Name English
Code System Code Type Description
FDA UNII
3H6AZZ4N4T
Created by admin on Wed Apr 02 17:56:06 GMT 2025 , Edited by admin on Wed Apr 02 17:56:06 GMT 2025
PRIMARY
PUBCHEM
169444877
Created by admin on Wed Apr 02 17:56:06 GMT 2025 , Edited by admin on Wed Apr 02 17:56:06 GMT 2025
PRIMARY
Related Record Type Details
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