ZPS

cyclobutane-1,1-dicarboxylic acid

Created:	2021-05-18
Last modified:	2022-01-19

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2 entries where ZPS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

2D diagram of ZPS

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Chemical Component Summary
Name	cyclobutane-1,1-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	cyclobutane-1,1-dicarboxylic acid
Formula	C₆ H₈ O₄
Molecular Weight	144.125
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C1(CCC1)C(O)=O
SMILES	CACTVS	3.385	OC(=O)C1(CCC1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1CC(C1)(C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C1(CCC1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CC(C1)(C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
InChIKey	InChI	1.03	CCQPAEQGAVNNIA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2568, 19786399
ChEMBL	CHEMBL1162546
ChEBI	CHEBI:35691
CCDC/CSD	PARKOK, ROVDOX, CBUTCA01

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.