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4-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid

4-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid

Systemtic Name:4-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid
Openeye Name:4-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid
CAS Name:4-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid
IUPAC Name:4-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid
Traditional Name:4-[2-[2-(cetylsulfonylamino)phenyl]ethyl]benzoic acid
Formula: C31H47NO4S
MolecularWeight: 529.77418
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=CC=C1CCC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C31H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-37(35,36)32-30-19-16-15-18-28(30)23-20-27-21-24-29(25-22-27)31(33)34/h15-16,18-19,21-22,24-25,32H,2-14,17,20,23,26H2,1H3,(H,33,34)


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