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4-[hexadecyl(sulfomethyl)amino]benzoic acid

4-[hexadecyl(sulfomethyl)amino]benzoic acid

Systemtic Name:4-[hexadecyl(sulfomethyl)amino]benzoic acid
Openeye Name:4-[hexadecyl(sulfomethyl)amino]benzoic acid
CAS Name:4-[hexadecyl(sulfomethyl)amino]benzoic acid
IUPAC Name:4-[hexadecyl(sulfomethyl)amino]benzoic acid
Traditional Name:4-[cetyl(sulfomethyl)amino]benzoic acid
Formula: C24H41NO5S
MolecularWeight: 455.65104
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CS(=O)(=O)O)C1=CC=C(C=C1)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCN(CS(=O)(=O)O)C1=CC=C(C=C1)C(=O)O


InChI

InChI=1S/C24H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(21-31(28,29)30)23-18-16-22(17-19-23)24(26)27/h16-19H,2-15,20-21H2,1H3,(H,26,27)(H,28,29,30)


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