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- ChemComp-ANS: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) -

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Basic information

EntryDatabase: PDB chemical components / ID: ANS
NameName: 5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid)
Synonyms: DANSYL ACID

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Chemical information

Composition
Formula: C12H13NO3S / Number of atoms: 30 / Formula weight: 251.302 / Formal charge: 0
Others

1a4w

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ANS / Model coordinates PDB-ID: 1A4W
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=S(=O)(O)c1cccc2c1cccc2N(C)C
CACTVS 3.341CN(C)c1cccc2c1cccc2[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.341CN(C)c1cccc2c1cccc2[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)

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InChIKey

InChI 1.03BBEQQKBWUHCIOU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-(dimethylamino)naphthalene-1-sulfonic acid
OpenEye OEToolkits 1.5.05-dimethylaminonaphthalene-1-sulfonic acid

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PDB entries

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