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2-[carboxymethyl-[3-octadecoxy-5-(trifluoromethylsulfonylamino)phenyl]amino]ethanoic acid

2-[carboxymethyl-[3-octadecoxy-5-(trifluoromethylsulfonylamino)phenyl]amino]ethanoic acid

Systemtic Name:2-[carboxymethyl-[3-octadecoxy-5-(trifluoromethylsulfonylamino)phenyl]amino]ethanoic acid
Openeye Name:2-[N-(carboxymethyl)-3-octadecoxy-5-(trifluoromethylsulfonylamino)anilino]acetic acid
CAS Name:2-[N-(carboxymethyl)-3-octadecoxy-5-(trifluoromethylsulfonylamino)anilino]acetic acid
IUPAC Name:2-[N-(carboxymethyl)-3-octadecoxy-5-(trifluoromethylsulfonylamino)anilino]acetic acid
Traditional Name:2-[N-(carboxymethyl)-3-stearyloxy-5-(triflylamino)anilino]acetic acid
Formula: C29H47F3N2O7S
MolecularWeight: 624.75289
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)NS(=O)(=O)C(F)(F)F


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)NS(=O)(=O)C(F)(F)F


InChI

InChI=1S/C29H47F3N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-41-26-20-24(33-42(39,40)29(30,31)32)19-25(21-26)34(22-27(35)36)23-28(37)38/h19-21,33H,2-18,22-23H2,1H3,(H,35,36)(H,37,38)


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