GZ8

4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid

Created:	2018-10-26
Last modified:	2019-03-20

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1 entries where GZ8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

2D diagram of GZ8

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Chemical Component Summary
Name	4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	4-sulfanylidenecyclohexa-2,5-diene-1,2-dicarboxylic acid
Formula	C₈ H₆ O₄ S
Molecular Weight	198.196
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)[CH]1C=CC(=S)C=C1C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	C1=CC(=S)C=C(C1C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1C=CC(=S)C=C1C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1=CC(=S)C=C(C1C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H6O4S/c9-7(10)5-2-1-4(13)3-6(5)8(11)12/h1-3,5H,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKey	InChI	1.03	KNBOUYAMGNHOJT-RXMQYKEDSA-N

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.