2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate

C135H108F27O52S9-9 — CID 157440529

About 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate

2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate (PubChem CID 157440529) has the molecular formula C135H108F27O52S9-9 and a molecular weight of 3363.85 g/mol. Its IUPAC name is 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate.

Molecular Properties

• Compound Name: 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate
• PubChem CID: 157440529
• Molecular Formula: C135H108F27O52S9-9
• Molecular Weight: 3363.85 g/mol
• Exact Mass: 3361.29
• IUPAC Name: 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate
• SMILES: CC(CS(=O)(=O)[O-])(OC(=O)C(c1ccccc1)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc2ccccc2cc1OO)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2ccccc2c1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cccc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1O)C(F)(F)F
• InChI: InChI=1S/C19H13F3O7S.C19H15F3O5S.C18H17F3O5S.C15H13F3O7S.2C15H13F3O5S.C12H11F3O7S.C11H11F3O6S.C11H11F3O5S/c1-18(19(20,21)22,9-30(26,27)28)29-17(25)10-6-7-13-14(8-10)16(24)12-5-3-2-4-11(12)15(13)23;1-18(19(20,21)22,11-28(24,25)26)27-17(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-17(18(19,20)21,12-27(23,24)25)26-16(22)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-14(15(16,17)18,8-26(21,22)23)24-13(19)11-6-9-4-2-3-5-10(9)7-12(11)25-20;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-8-4-6-10-5-2-3-7-11(10)12;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-7-6-10-4-2-3-5-11(10)8-12;1-11(12(13,14)15,6-23(19,20)21)22-10(18)8-5-3-2-4-7(8)9(16)17;1-10(11(12,13)14,6-21(17,18)19)20-9(16)7-4-2-3-5-8(7)15;1-10(11(12,13)14,7-20(16,17)18)19-9(15)8-5-3-2-4-6-8/h2-8H,9H2,1H3,(H,26,27,28);2-10H,11H2,1H3,(H,24,25,26);2-11,15H,12H2,1H3,(H,23,24,25);2-7,20H,8H2,1H3,(H,21,22,23);2*2-8H,9H2,1H3,(H,20,21,22);2-5H,6H2,1H3,(H,16,17)(H,19,20,21);2-5,15H,6H2,1H3,(H,17,18,19);2-6H,7H2,1H3,(H,16,17,18)/p-9
• InChIKey: BRPWCNQBPSSIRV-UHFFFAOYSA-E
• XLogP: 22.70
• TPSA: 872.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 51
• Rotatable Bonds: 40
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3363.85
LogP ≤ 5	22.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?

The IUPAC name of 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate (CID 157440529) is 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate.

What is the SMILES notation for 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?

The canonical SMILES for 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate is CC(CS(=O)(=O)[O-])(OC(=O)C(c1ccccc1)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc2ccccc2cc1OO)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2ccccc2c1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cccc2ccccc12)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1C(=O)O)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccccc1O)C(F)(F)F.

What is the InChIKey of 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?

The InChIKey is BRPWCNQBPSSIRV-UHFFFAOYSA-E. The full InChI is InChI=1S/C19H13F3O7S.C19H15F3O5S.C18H17F3O5S.C15H13F3O7S.2C15H13F3O5S.C12H11F3O7S.C11H11F3O6S.C11H11F3O5S/c1-18(19(20,21)22,9-30(26,27)28)29-17(25)10-6-7-13-14(8-10)16(24)12-5-3-2-4-11(12)15(13)23;1-18(19(20,21)22,11-28(24,25)26)27-17(23)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-17(18(19,20)21,12-27(23,24)25)26-16(22)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-14(15(16,17)18,8-26(21,22)23)24-13(19)11-6-9-4-2-3-5-10(9)7-12(11)25-20;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-8-4-6-10-5-2-3-7-11(10)12;1-14(15(16,17)18,9-24(20,21)22)23-13(19)12-7-6-10-4-2-3-5-11(10)8-12;1-11(12(13,14)15,6-23(19,20)21)22-10(18)8-5-3-2-4-7(8)9(16)17;1-10(11(12,13)14,6-21(17,18)19)20-9(16)7-4-2-3-5-8(7)15;1-10(11(12,13)14,7-20(16,17)18)19-9(15)8-5-3-2-4-6-8/h2-8H,9H2,1H3,(H,26,27,28);2-10H,11H2,1H3,(H,24,25,26);2-11,15H,12H2,1H3,(H,23,24,25);2-7,20H,8H2,1H3,(H,21,22,23);2*2-8H,9H2,1H3,(H,20,21,22);2-5H,6H2,1H3,(H,16,17)(H,19,20,21);2-5,15H,6H2,1H3,(H,17,18,19);2-6H,7H2,1H3,(H,16,17,18)/p-9.

What are the key properties of 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate?

2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate has a molecular weight of 3363.85 g/mol, XLogP of 22.70, 40 rotatable bonds, 3 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(anthracene-9-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(9,10-dioxoanthracene-2-carbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-diphenylacetyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroperoxynaphthalene-2-carbonyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate is sourced from PubChem (CID 157440529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).