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sodium 6-[3-(1-oxidanylhexyl)phenyl]hexanoate

sodium 6-[3-(1-oxidanylhexyl)phenyl]hexanoate

Systemtic Name:sodium 6-[3-(1-oxidanylhexyl)phenyl]hexanoate
Openeye Name:sodium 6-[3-(1-hydroxyhexyl)phenyl]hexanoate
CAS Name:sodium 6-[3-(1-hydroxyhexyl)phenyl]hexanoate
IUPAC Name:sodium 6-[3-(1-hydroxyhexyl)phenyl]hexanoate
Traditional Name:sodium 6-[3-(1-hydroxyhexyl)phenyl]hexanoate
Formula: C18H27NaO3
MolecularWeight: 314.39495
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC(=C1)CCCCCC(=O)[O-])O.[Na+]


Isomeric SMILES

CCCCCC(C1=CC=CC(=C1)CCCCCC(=O)[O-])O.[Na+]


InChI

InChI=1S/C18H28O3.Na/c1-2-3-5-12-17(19)16-11-8-10-15(14-16)9-6-4-7-13-18(20)21;/h8,10-11,14,17,19H,2-7,9,12-13H2,1H3,(H,20,21);/q;+1/p-1


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