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Details

Stereochemistry RACEMIC
Molecular Formula C7H11O9P
Molecular Weight 270.1306
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHOSPHONOBUTANETRICARBOXYLIC ACID

SMILES

OC(=O)CCC(CC(O)=O)(C(O)=O)P(O)(O)=O

InChI

InChIKey=SZHQPBJEOCHCKM-UHFFFAOYSA-N
InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)

HIDE SMILES / InChI

Molecular Formula C7H11O9P
Molecular Weight 270.1306
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:34:01 GMT 2025
Edited
by admin
on Mon Mar 31 19:34:01 GMT 2025
Record UNII
306P37319L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHOSPHONOBUTANETRICARBOXYLIC ACID
INCI  
INCI  
Official Name English
BAYHIBIT AM
Preferred Name English
DEQUEST 7000
Common Name English
2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID
Systematic Name English
1,2,4-BUTANETRICARBOXYLIC ACID, 2-PHOSPHONO-
Common Name English
2-PHOSPHONO-1,2,4-BUTANETRICARBOXYLIC ACID
Systematic Name English
MAYOQUEST 2100
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
253-733-5
Created by admin on Mon Mar 31 19:34:01 GMT 2025 , Edited by admin on Mon Mar 31 19:34:01 GMT 2025
PRIMARY
PUBCHEM
61973
Created by admin on Mon Mar 31 19:34:01 GMT 2025 , Edited by admin on Mon Mar 31 19:34:01 GMT 2025
PRIMARY
MESH
C044137
Created by admin on Mon Mar 31 19:34:01 GMT 2025 , Edited by admin on Mon Mar 31 19:34:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID4027999
Created by admin on Mon Mar 31 19:34:01 GMT 2025 , Edited by admin on Mon Mar 31 19:34:01 GMT 2025
PRIMARY
CAS
37971-36-1
Created by admin on Mon Mar 31 19:34:01 GMT 2025 , Edited by admin on Mon Mar 31 19:34:01 GMT 2025
PRIMARY
FDA UNII
306P37319L
Created by admin on Mon Mar 31 19:34:01 GMT 2025 , Edited by admin on Mon Mar 31 19:34:01 GMT 2025
PRIMARY