2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate

C117H130F18O50S6-6 — CID 159217276

IUPAC2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate
SMILESCc1c(C)c(C)c(C(=O)O/C=C/C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OC#CC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)OC2CCCC2)c1C.Cc1c(C)c(C)c(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)OC2CCCCC2)c1C.Cc1c(C)c(C)c(C(=O)OC2CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC2)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C22H27F3O9S.C21H27F3O7S.C20H25F3O7S.C18H21F3O9S.C18H19F3O9S.C18H17F3O9S/c1-10-11(2)13(4)18(17(12(10)3)19(26)27)21(29)33-15-7-5-14(6-8-15)20(28)34-16(22(23,24)25)9-35(30,31)32;1-11-12(2)14(4)18(20(26)31-16(21(22,23)24)10-32(27,28)29)17(13(11)3)19(25)30-15-8-6-5-7-9-15;1-10-11(2)13(4)17(16(12(10)3)18(24)29-14-7-5-6-8-14)19(25)30-15(20(21,22)23)9-31(26,27)28;3*1-8-9(2)11(4)15(14(10(8)3)16(23)24)17(25)29-6-5-13(22)30-12(18(19,20)21)7-31(26,27)28/h14-16H,5-9H2,1-4H3,(H,26,27)(H,30,31,32);15-16H,5-10H2,1-4H3,(H,27,28,29);14-15H,5-9H2,1-4H3,(H,26,27,28);12H,5-7H2,1-4H3,(H,23,24)(H,26,27,28);5-6,12H,7H2,1-4H3,(H,23,24)(H,26,27,28);12H,7H2,1-4H3,(H,23,24)(H,26,27,28)/p-6/b;;;;6-5+;
InChIKeyKRFPVCKJZTVUGG-QYKOBHSRSA-H
MW2870.64 g/mol
LogP17.30
Rot. Bonds39

About 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate

2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate (PubChem CID 159217276) has the molecular formula C117H130F18O50S6-6 and a molecular weight of 2870.64 g/mol. Its IUPAC name is 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate.

Molecular Properties

Compound Name2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate
PubChem CID159217276
Molecular FormulaC117H130F18O50S6-6
Molecular Weight2870.64 g/mol
Exact Mass2868.57
IUPAC Name2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate
SMILESCc1c(C)c(C)c(C(=O)O/C=C/C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OC#CC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)OC2CCCC2)c1C.Cc1c(C)c(C)c(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)OC2CCCCC2)c1C.Cc1c(C)c(C)c(C(=O)OC2CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC2)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C22H27F3O9S.C21H27F3O7S.C20H25F3O7S.C18H21F3O9S.C18H19F3O9S.C18H17F3O9S/c1-10-11(2)13(4)18(17(12(10)3)19(26)27)21(29)33-15-7-5-14(6-8-15)20(28)34-16(22(23,24)25)9-35(30,31)32;1-11-12(2)14(4)18(20(26)31-16(21(22,23)24)10-32(27,28)29)17(13(11)3)19(25)30-15-8-6-5-7-9-15;1-10-11(2)13(4)17(16(12(10)3)18(24)29-14-7-5-6-8-14)19(25)30-15(20(21,22)23)9-31(26,27)28;3*1-8-9(2)11(4)15(14(10(8)3)16(23)24)17(25)29-6-5-13(22)30-12(18(19,20)21)7-31(26,27)28/h14-16H,5-9H2,1-4H3,(H,26,27)(H,30,31,32);15-16H,5-10H2,1-4H3,(H,27,28,29);14-15H,5-9H2,1-4H3,(H,26,27,28);12H,5-7H2,1-4H3,(H,23,24)(H,26,27,28);5-6,12H,7H2,1-4H3,(H,23,24)(H,26,27,28);12H,7H2,1-4H3,(H,23,24)(H,26,27,28)/p-6/b;;;;6-5+;
InChIKeyKRFPVCKJZTVUGG-QYKOBHSRSA-H
XLogP17.30
TPSA808.00 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds39
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002870.64
LogP ≤ 517.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate?
The IUPAC name of 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate (CID 159217276) is 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate.
What is the SMILES notation for 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate?
The canonical SMILES for 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate is Cc1c(C)c(C)c(C(=O)O/C=C/C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OC#CC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)OC2CCCC2)c1C.Cc1c(C)c(C)c(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)OC2CCCCC2)c1C.Cc1c(C)c(C)c(C(=O)OC2CCC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)CC2)c(C(=O)O)c1C.Cc1c(C)c(C)c(C(=O)OCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)c(C(=O)O)c1C.
What is the InChIKey of 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate?
The InChIKey is KRFPVCKJZTVUGG-QYKOBHSRSA-H. The full InChI is InChI=1S/C22H27F3O9S.C21H27F3O7S.C20H25F3O7S.C18H21F3O9S.C18H19F3O9S.C18H17F3O9S/c1-10-11(2)13(4)18(17(12(10)3)19(26)27)21(29)33-15-7-5-14(6-8-15)20(28)34-16(22(23,24)25)9-35(30,31)32;1-11-12(2)14(4)18(20(26)31-16(21(22,23)24)10-32(27,28)29)17(13(11)3)19(25)30-15-8-6-5-7-9-15;1-10-11(2)13(4)17(16(12(10)3)18(24)29-14-7-5-6-8-14)19(25)30-15(20(21,22)23)9-31(26,27)28;3*1-8-9(2)11(4)15(14(10(8)3)16(23)24)17(25)29-6-5-13(22)30-12(18(19,20)21)7-31(26,27)28/h14-16H,5-9H2,1-4H3,(H,26,27)(H,30,31,32);15-16H,5-10H2,1-4H3,(H,27,28,29);14-15H,5-9H2,1-4H3,(H,26,27,28);12H,5-7H2,1-4H3,(H,23,24)(H,26,27,28);5-6,12H,7H2,1-4H3,(H,23,24)(H,26,27,28);12H,7H2,1-4H3,(H,23,24)(H,26,27,28)/p-6/b;;;;6-5+;.
What are the key properties of 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate?
2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate has a molecular weight of 2870.64 g/mol, XLogP of 17.30, 39 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxycyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxypropanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-[(E)-3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-enoyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(2-carboxy-3,4,5,6-tetramethylbenzoyl)oxyprop-2-ynoyloxy]-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclopentyloxycarbonyl-3,4,5,6-tetramethylbenzoyl)oxy-3,3,3-trifluoropropane-1-sulfonate is sourced from PubChem (CID 159217276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).