bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)

C193H225F10O43S13+5 — CID 157288459

About bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)

bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium) (PubChem CID 157288459) has the molecular formula C193H225F10O43S13+5 and a molecular weight of 3839.73 g/mol. Its IUPAC name is bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)
• PubChem CID: 157288459
• Molecular Formula: C193H225F10O43S13+5
• Molecular Weight: 3839.73 g/mol
• Exact Mass: 3836.16
• IUPAC Name: bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)
• SMILES: CC(C)OC(=O)C1C2CCC(C2)C1C(=O)OCCC(F)(F)S(=O)(=O)O.CC(C)OC(=O)C1C2CCC(C2)C1C(=O)OCCC(F)(F)S(=O)(=O)O.O=C(OCCC(F)(F)S(=O)(=O)O)C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCCC(F)(F)S(=O)(=O)O)C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCCC(F)(F)S(=O)(=O)O)C1CCCCC1C(=O)OC1C2CC3C(=O)OC1C3C2.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/3C24H25O2S2.C19H24F2O9S.2C18H26F2O7S.2C18H15S.2C15H22F2O7S/c3*25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;20-19(21,31(25,26)27)5-6-28-16(22)10-3-1-2-4-11(10)17(23)29-14-9-7-12-13(8-9)18(24)30-15(12)14;2*19-18(20,28(23,24)25)8-9-26-16(21)14-11-6-7-12(10-11)15(14)17(22)27-13-4-2-1-3-5-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-8(2)24-14(19)12-10-4-3-9(7-10)11(12)13(18)23-6-5-15(16,17)25(20,21)22/h3*1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;9-15H,1-8H2,(H,25,26,27);2*11-15H,1-10H2,(H,23,24,25);2*1-15H;2*8-12H,3-7H2,1-2H3,(H,20,21,22)/q3*+1;;;;2*+1
• InChIKey: BAMZTJFFIAPBFC-UHFFFAOYSA-N
• XLogP: 38.83
• TPSA: 663.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 56
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3839.73
LogP ≤ 5	38.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)?

The IUPAC name of bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium) (CID 157288459) is bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium).

What is the SMILES notation for bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)?

The canonical SMILES for bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium) is CC(C)OC(=O)C1C2CCC(C2)C1C(=O)OCCC(F)(F)S(=O)(=O)O.CC(C)OC(=O)C1C2CCC(C2)C1C(=O)OCCC(F)(F)S(=O)(=O)O.O=C(OCCC(F)(F)S(=O)(=O)O)C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCCC(F)(F)S(=O)(=O)O)C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCCC(F)(F)S(=O)(=O)O)C1CCCCC1C(=O)OC1C2CC3C(=O)OC1C3C2.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)?

The InChIKey is BAMZTJFFIAPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H25O2S2.C19H24F2O9S.2C18H26F2O7S.2C18H15S.2C15H22F2O7S/c3*25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;20-19(21,31(25,26)27)5-6-28-16(22)10-3-1-2-4-11(10)17(23)29-14-9-7-12-13(8-9)18(24)30-15(12)14;2*19-18(20,28(23,24)25)8-9-26-16(21)14-11-6-7-12(10-11)15(14)17(22)27-13-4-2-1-3-5-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-8(2)24-14(19)12-10-4-3-9(7-10)11(12)13(18)23-6-5-15(16,17)25(20,21)22/h3*1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;9-15H,1-8H2,(H,25,26,27);2*11-15H,1-10H2,(H,23,24,25);2*1-15H;2*8-12H,3-7H2,1-2H3,(H,20,21,22)/q3*+1;;;;2*+1;;.

What are the key properties of bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium)?

bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium) has a molecular weight of 3839.73 g/mol, XLogP of 38.83, 56 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoropropane-1-sulfonic acid);tris((4-cyclohexylsulfonylphenyl)-diphenylsulfanium);1,1-difluoro-3-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonic acid;bis(1,1-difluoro-3-(3-propan-2-yloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropane-1-sulfonic acid);bis(triphenylsulfanium) is sourced from PubChem (CID 157288459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).