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2-[hexadecylsulfonyl(phenyl)amino]hexanoic acid

2-[hexadecylsulfonyl(phenyl)amino]hexanoic acid

Systemtic Name:2-[hexadecylsulfonyl(phenyl)amino]hexanoic acid
Openeye Name:2-(N-hexadecylsulfonylanilino)hexanoic acid
CAS Name:2-(N-hexadecylsulfonylanilino)hexanoic acid
IUPAC Name:2-(N-hexadecylsulfonylanilino)hexanoic acid
Traditional Name:2-(N-cetylsulfonylanilino)hexanoic acid
Formula: C28H49NO4S
MolecularWeight: 495.75796
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)N(C1=CC=CC=C1)C(CCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)N(C1=CC=CC=C1)C(CCCC)C(=O)O


InChI

InChI=1S/C28H49NO4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-34(32,33)29(26-22-19-18-20-23-26)27(28(30)31)24-6-4-2/h18-20,22-23,27H,3-17,21,24-25H2,1-2H3,(H,30,31)


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