2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]acetic acid CAS Name: 2-[4-[2-(hexadecylsulfonylamino)ethylthio]phenyl]acetic acid IUPAC Name: 2-[4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(cetylsulfonylamino)ethylthio]phenyl]acetic acid Formula: C26H45NO4S2 MolecularWeight: 499.7698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NCCSC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C26H45NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33(30,31)27-20-21-32-25-18-16-24(17-19-25)23-26(28)29/h16-19,27H,2-15,20-23H2,1H3,(H,28,29)