T80

METHYLPENTA(OXYETHYL) HEPTADECANOATE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where T80 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	94
Chiral Atom Count	0
Bond Count	93
Aromatic Bond Count	0

2D diagram of T80

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Chemical Component Summary
Name	METHYLPENTA(OXYETHYL) HEPTADECANOATE
Systematic Name (OpenEye OEToolkits)	2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl octadecanoate
Formula	C₂₉ H₅₈ O₇
Molecular Weight	518.767
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCCOCCOCCOCCOCCOC)CCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC
InChI	InChI	1.03	InChI=1S/C29H58O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(30)36-28-27-35-26-25-34-24-23-33-22-21-32-20-19-31-2/h3-28H2,1-2H3
InChIKey	InChI	1.03	AKUODCGCIHXMIY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	446897

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