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NAS : Summary
Code
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NAS
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One-letter code
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X
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Molecule name
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2-NAPHTHALENESULFONIC ACID
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Systematic names
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Formula
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C10 H8 O3 S
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Formal charge
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0
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Molecular weight
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208.234 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S(=O)(O)c2ccc1c(cccc1)c2 |
SMILES
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CACTVS |
3.341 |
O[S](=O)(=O)c1ccc2ccccc2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2cc(ccc2c1)S(=O)(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[S](=O)(=O)c1ccc2ccccc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2cc(ccc2c1)S(=O)(=O)O |
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IUPAC InChI | InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13) |
IUPAC InChI key | KVBGVZZKJNLNJU-UHFFFAOYSA-N |
Is part of |
MID
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wwPDB Information |
Atom count
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22 (14 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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1999-07-08
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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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