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- ChemComp-MAS: dimethylsulfamic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: MAS
NameName: dimethylsulfamic acid

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Chemical information

Composition
Formula: C2H7NO3S / Number of atoms: 14 / Formula weight: 125.147 / Formal charge: 0
Others

1epp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MAS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1EPP
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEMBL / CompTox / Nikkaji / PubChem / SureChEMBL / ZINC / 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 12.01O=S(=O)(O)N(C)C
CACTVS 3.370CN(C)[S](O)(=O)=O
OpenEye OEToolkits 1.7.0CN(C)S(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.370CN(C)[S](O)(=O)=O
OpenEye OEToolkits 1.7.0CN(C)S(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6)

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InChIKey

InChI 1.03YGNOYUCUPMACDT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01dimethylsulfamic acid
OpenEye OEToolkits 1.7.0dimethylsulfamic acid

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PDB entries

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