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2-[4-[2-(hexadecylsulfonylamino)ethyl]phenoxy]ethanoic acid

2-[4-[2-(hexadecylsulfonylamino)ethyl]phenoxy]ethanoic acid

Systemtic Name:2-[4-[2-(hexadecylsulfonylamino)ethyl]phenoxy]ethanoic acid
Openeye Name:2-[4-[2-(hexadecylsulfonylamino)ethyl]phenoxy]acetic acid
CAS Name:2-[4-[2-(hexadecylsulfonylamino)ethyl]phenoxy]acetic acid
IUPAC Name:2-[4-[2-(hexadecylsulfonylamino)ethyl]phenoxy]acetic acid
Traditional Name:2-[4-[2-(cetylsulfonylamino)ethyl]phenoxy]acetic acid
Formula: C26H45NO5S
MolecularWeight: 483.7042
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NCCC1=CC=C(C=C1)OCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NCCC1=CC=C(C=C1)OCC(=O)O


InChI

InChI=1S/C26H45NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33(30,31)27-21-20-24-16-18-25(19-17-24)32-23-26(28)29/h16-19,27H,2-15,20-23H2,1H3,(H,28,29)


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