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TTO : Summary
Code ![](/pdbe/static/images/help.png)
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TTO
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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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(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM
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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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C24 H20 As O2
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Formal charge ![](/pdbe/static/images/help.png)
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1
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Molecular weight ![](/pdbe/static/images/help.png)
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415.336 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 |
Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O |
Canonical SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AYGYLFIDAXGERM-UHFFFAOYSA-O |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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47 (27 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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2001-02-01
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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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