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- ChemComp-P3G: 3,6,9,12,15-PENTAOXAHEPTADECANE -

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Basic information

EntryDatabase: PDB chemical components / ID: P3G
NameName: 3,6,9,12,15-pentaoxaheptadecane

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Chemical information

Composition
Formula: C12H26O5 / Number of atoms: 43 / Formula weight: 250.332 / Formal charge: 0
Others

1qz9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: P3G / Model coordinates PDB-ID: 1QZ9
History
Create componentSep 17, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / CompTox / DrugBank / 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 10.04O(CC)CCOCCOCCOCCOCC
CACTVS 3.341CCOCCOCCOCCOCCOCC
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCC

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SMILES CANONICAL

CACTVS 3.341CCOCCOCCOCCOCCOCC
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCC

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InChI

InChI 1.03InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3

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InChIKey

InChI 1.03HYDWALOBQJFOMS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043,6,9,12,15-pentaoxaheptadecane
OpenEye OEToolkits 1.5.01-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethane

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