(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)

C181H142F30O38S12 — CID 159131962

About (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)

(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium) (PubChem CID 159131962) has the molecular formula C181H142F30O38S12 and a molecular weight of 3879.83 g/mol. Its IUPAC name is (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium).

Molecular Properties

• Compound Name: (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)
• PubChem CID: 159131962
• Molecular Formula: C181H142F30O38S12
• Molecular Weight: 3879.83 g/mol
• Exact Mass: 3876.53
• IUPAC Name: (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)
• SMILES: O=C(O)C1C2CCC(C2)C1C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-].O=C(O)C1CCCCC1C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-].O=C(O)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-])cc1.O=C(O)c1ccccc1C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-].O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])c1ccc2ccccc2c1.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])c1cccc2ccccc12.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/6C18H15S.2C14H9F5O5S.C12H13F5O7S.C11H7F5O7S.C11H13F5O7S.C11H7F5O7S/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)12(14(18,19)25-24-23-21)22-11(20)10-7-3-5-8-4-1-2-6-9(8)10;15-13(16,17)12(14(18,19)25-24-23-21)22-11(20)10-6-5-8-3-1-2-4-9(8)7-10;13-11(14,15)10(12(16,17)25-24-23-21)22-9(20)7-5-2-1-4(3-5)6(7)8(18)19;12-10(13,14)9(11(15,16)24-23-22-20)21-8(19)6-3-1-5(2-4-6)7(17)18;2*12-10(13,14)9(11(15,16)24-23-22-20)21-8(19)6-4-2-1-3-5(6)7(17)18/h6*1-15H;2*1-7,12,21H;4-7,10,21H,1-3H2,(H,18,19);1-4,9,20H,(H,17,18);5-6,9,20H,1-4H2,(H,17,18);1-4,9,20H,(H,17,18)/q6*+1;;;;;;/p-6
• InChIKey: KGZXAWDNSJJFIJ-UHFFFAOYSA-H
• XLogP: 42.84
• TPSA: 556.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 58
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3879.83
LogP ≤ 5	42.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)?

The IUPAC name of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium) (CID 159131962) is (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium).

What is the SMILES notation for (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)?

The canonical SMILES for (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium) is O=C(O)C1C2CCC(C2)C1C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-].O=C(O)C1CCCCC1C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-].O=C(O)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-])cc1.O=C(O)c1ccccc1C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-].O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])c1ccc2ccccc2c1.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])c1cccc2ccccc12.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)?

The InChIKey is KGZXAWDNSJJFIJ-UHFFFAOYSA-H. The full InChI is InChI=1S/6C18H15S.2C14H9F5O5S.C12H13F5O7S.C11H7F5O7S.C11H13F5O7S.C11H7F5O7S/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)12(14(18,19)25-24-23-21)22-11(20)10-7-3-5-8-4-1-2-6-9(8)10;15-13(16,17)12(14(18,19)25-24-23-21)22-11(20)10-6-5-8-3-1-2-4-9(8)7-10;13-11(14,15)10(12(16,17)25-24-23-21)22-9(20)7-5-2-1-4(3-5)6(7)8(18)19;12-10(13,14)9(11(15,16)24-23-22-20)21-8(19)6-3-1-5(2-4-6)7(17)18;2*12-10(13,14)9(11(15,16)24-23-22-20)21-8(19)6-4-2-1-3-5(6)7(17)18/h6*1-15H;2*1-7,12,21H;4-7,10,21H,1-3H2,(H,18,19);1-4,9,20H,(H,17,18);5-6,9,20H,1-4H2,(H,17,18);1-4,9,20H,(H,17,18)/q6*+1;;;;;;/p-6.

What are the key properties of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium)?

(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium) has a molecular weight of 3879.83 g/mol, XLogP of 42.84, 58 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) naphthalene-2-carboxylate;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;4-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbenzoic acid;3-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid;2-(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid;hexakis(triphenylsulfanium) is sourced from PubChem (CID 159131962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).