[2,5-bis(fluoranyl)phenyl]methylsulfonyl 4-chloranylbenzenesulfonate; pentane

Systemtic Name: [2,5-bis(fluoranyl)phenyl]methylsulfonyl 4-chloranylbenzenesulfonate; pentane Openeye Name: (2,5-difluorophenyl)methylsulfonyl 4-chlorobenzenesulfonate; pentane CAS Name: 4-chlorobenzenesulfonic acid (2,5-difluorophenyl)methylsulfonyl ester; pentane IUPAC Name: (2,5-difluorophenyl)methylsulfonyl 4-chlorobenzenesulfonate; pentane Traditional Name: 4-chlorobenzenesulfonic acid (2,5-difluorobenzyl)sulfonyl ester; n-pentane Formula: C18H21ClF2O5S2 MolecularWeight: 454.936146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC.C1=CC(=CC=C1S(=O)(=O)OS(=O)(=O)CC2=C(C=CC(=C2)F)F)Cl

Isomeric SMILES

CCCCC.C1=CC(=CC=C1S(=O)(=O)OS(=O)(=O)CC2=C(C=CC(=C2)F)F)Cl

InChI

InChI=1S/C13H9ClF2O5S2.C5H12/c14-10-1-4-12(5-2-10)23(19,20)21-22(17,18)8-9-7-11(15)3-6-13(9)16;1-3-5-4-2/h1-7H,8H2;3-5H2,1-2H3