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TTA : Summary
Code
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TTA
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One-letter code
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X
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Molecule name
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TETRAPHENYL-ARSONIUM
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Systematic names
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Formula
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C24 H20 As
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Formal charge
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1
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Molecular weight
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383.337 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
c1c(cccc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
SMILES
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CACTVS |
3.341 |
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
Canonical SMILES
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CACTVS |
3.341 |
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4 |
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IUPAC InChI | InChI=1S/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1 |
IUPAC InChI key | PJMJFVQKDBRMIP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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45 (25 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2001-01-24
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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