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- ChemComp-7PE: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL -

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Basic information

EntryDatabase: PDB chemical components / ID: 7PE
NameName: 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol
Synonyms: POLYETHYLENE GLYCOL FRAGMENT

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Chemical information

Composition
Formula: C14H30O7 / Number of atoms: 51 / Formula weight: 310.384 / Formal charge: 0
Others

2dbp
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7PE / Model coordinates PDB-ID: 2DBP
History
Create componentDec 28, 2005
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / 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(CCOCC)CCOCCOCCOCCOCCO
CACTVS 3.341CCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCCOCCO

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SMILES CANONICAL

CACTVS 3.341CCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCCOCCO

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InChI

InChI 1.03InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3

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InChIKey

InChI 1.03UKXKPKBTMYNOFS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043,6,9,12,15,18-hexaoxaicosan-1-ol
OpenEye OEToolkits 1.5.02-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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