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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19O7PS
Molecular Weight 386.357
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (?S)-3-Phenoxy-?-phosphonobenzenebutanesulfonic acid

SMILES

OP(O)(=O)[C@H](CCCC1=CC(OC2=CC=CC=C2)=CC=C1)S(O)(=O)=O

InChI

InChIKey=RCGCZPXSRLLKCK-INIZCTEOSA-N
InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(?S)-3-Phenoxy-?-phosphonobenzenebutanesulfonic acid
Systematic Name English
Benzenebutanesulfonic acid, 3-phenoxy-?-phosphono-, (?S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
153978
Created by admin on Wed Apr 02 16:57:48 GMT 2025 , Edited by admin on Wed Apr 02 16:57:48 GMT 2025
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CAS
157126-18-6
Created by admin on Wed Apr 02 16:57:48 GMT 2025 , Edited by admin on Wed Apr 02 16:57:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID40166215
Created by admin on Wed Apr 02 16:57:48 GMT 2025 , Edited by admin on Wed Apr 02 16:57:48 GMT 2025
PRIMARY
FDA UNII
V2P45PRJ5Z
Created by admin on Wed Apr 02 16:57:48 GMT 2025 , Edited by admin on Wed Apr 02 16:57:48 GMT 2025
PRIMARY