[6-fluoranyl-4,4,5,5-tetrakis(1-fluoranylpentyl)decyl] 4-methylbenzenesulfonate

Systemtic Name: [6-fluoranyl-4,4,5,5-tetrakis(1-fluoranylpentyl)decyl] 4-methylbenzenesulfonate Openeye Name: [6-fluoro-4,4,5,5-tetrakis(1-fluoropentyl)decyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-fluoro-4,4,5,5-tetrakis(1-fluoropentyl)decyl] ester IUPAC Name: [6-fluoro-4,4,5,5-tetrakis(1-fluoropentyl)decyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-fluoro-4,4,5,5-tetrakis(1-fluoropentyl)decyl] ester Formula: C37H63F5O3S MolecularWeight: 682.951336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCOS(=O)(=O)C1=CC=C(C=C1)C)(C(CCCC)F)C(C(CCCC)F)(C(CCCC)F)C(CCCC)F)F

Isomeric SMILES

CCCCC(C(CCCOS(=O)(=O)C1=CC=C(C=C1)C)(C(CCCC)F)C(C(CCCC)F)(C(CCCC)F)C(CCCC)F)F

InChI

InChI=1S/C37H63F5O3S/c1-7-12-18-31(38)36(32(39)19-13-8-2,27-17-28-45-46(43,44)30-25-23-29(6)24-26-30)37(33(40)20-14-9-3,34(41)21-15-10-4)35(42)22-16-11-5/h23-26,31-35H,7-22,27-28H2,1-6H3