5-fluorosulfonyl-2-hexadecylsulfanyl-benzoic acid

Systemtic Name: 5-fluorosulfonyl-2-hexadecylsulfanyl-benzoic acid Openeye Name: 5-fluorosulfonyl-2-hexadecylsulfanyl-benzoic acid CAS Name: 5-fluorosulfonyl-2-(hexadecylthio)benzoic acid IUPAC Name: 5-fluorosulfonyl-2-hexadecylsulfanylbenzoic acid Traditional Name: 2-(cetylthio)-5-fluorosulfonyl-benzoic acid Formula: C23H37FO4S2 MolecularWeight: 460.665883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)O

InChI

InChI=1S/C23H37FO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(24,27)28)19-21(22)23(25)26/h16-17,19H,2-15,18H2,1H3,(H,25,26)