(4-fluoranyl-2-hexadecylsulfanyl-phenyl)sulfamic acid

Systemtic Name: (4-fluoranyl-2-hexadecylsulfanyl-phenyl)sulfamic acid Openeye Name: (4-fluoro-2-hexadecylsulfanyl-phenyl)sulfamic acid CAS Name: [4-fluoro-2-(hexadecylthio)phenyl]sulfamic acid IUPAC Name: (4-fluoro-2-hexadecylsulfanylphenyl)sulfamic acid Traditional Name: [2-(cetylthio)-4-fluoro-phenyl]sulfamic acid Formula: C22H38FNO3S2 MolecularWeight: 447.670423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=CC(=C1)F)NS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=CC(=C1)F)NS(=O)(=O)O

InChI

InChI=1S/C22H38FNO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-22-19-20(23)16-17-21(22)24-29(25,26)27/h16-17,19,24H,2-15,18H2,1H3,(H,25,26,27)