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C2U : Summary
Code ![](/pdbe/static/images/help.png)
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C2U
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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3,5-dichloro-2-hydroxybenzoic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C7 H4 Cl2 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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207.011 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1cc(Cl)cc(C(=O)O)c1O |
SMILES
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CACTVS |
3.341 |
OC(=O)c1cc(Cl)cc(Cl)c1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c(cc(c(c1C(=O)O)O)Cl)Cl |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)c1cc(Cl)cc(Cl)c1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1c(cc(c(c1C(=O)O)O)Cl)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CNJGWCQEGROXEE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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16 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2008-01-31
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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