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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13NO3S
Molecular Weight 239.291
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Isocyanopropyl toluene-p-sulfonate

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[N+]#[C-]

InChI

InChIKey=MXVUQONAJMUUHG-UHFFFAOYSA-N
InChI=1S/C11H13NO3S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-8-12-2/h4-7H,3,8-9H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Isocyanopropyl toluene-p-sulfonate
Systematic Name English
3-Isocyanopropyl toluene-p-sulphonate
Systematic Name English
1-Propanol, 3-isocyano-, 1-(4-methylbenzenesulfonate)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30222859
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
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CAS
72548-55-1
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
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ECHA (EC/EINECS)
276-713-8
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
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PUBCHEM
5743615
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
PRIMARY
FDA UNII
5K7EB5JS34
Created by admin on Sat Dec 16 12:26:48 GMT 2023 , Edited by admin on Sat Dec 16 12:26:48 GMT 2023
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