2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)

C383H394F24O71S24 — CID 157136466

IUPAC2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)
SMILESCC(=O)C12CC3CC(CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C1)C2.CC(C)C12CC3CC(CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C1)C2.CC12CC3(C)CC(C)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C2)C3.CC12CC3CC(C)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C(COC(=O)C(F)(F)S(=O)(=O)[O-])OC1C2CC3C(=O)OC1C3C2.O=C(OC12CC3CC(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(O)(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC4C5CC(CC41)CC2C5C3)C(F)(F)S(=O)(=O)[O-].O=C(OCCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C1C2CC3CC1CC(CCOC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.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.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
InChIInChI=1S/12C18H15S.C17H22F2O5S.C16H24F2O5S.C15H20F2O6S.2C15H22F2O5S.C14H18F2O6S.C14H20F2O5S.C13H18F2O6S.C12H12F2O9S.C12H16F2O7S.2C12H16F2O6S/c12*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(19,25(21,22)23)15(20)24-7-16-6-9-2-11-10-1-8(4-13(11)16)5-14(16)12(10)3-9;1-12-4-13(2)6-14(3,5-12)9-15(7-12,8-13)10-23-11(19)16(17,18)24(20,21)22;1-9(18)14-5-10-2-11(6-14)4-13(3-10,7-14)8-23-12(19)15(16,17)24(20,21)22;1-12-3-10-4-13(2,6-12)8-14(5-10,7-12)9-22-11(18)15(16,17)23(19,20)21;1-9(2)13-4-10-3-11(5-13)7-14(6-10,8-13)22-12(18)15(16,17)23(19,20)21;15-14(16,23(19,20)21)12(18)22-2-1-13-5-8-3-9(6-13)11(17)10(4-8)7-13;15-14(16,22(18,19)20)12(17)21-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;14-13(15,22(18,19)20)10(16)21-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;13-12(14,24(18,19)20)11(17)21-3-7(15)22-8-4-1-5-6(2-4)10(16)23-9(5)8;13-12(14,22(18,19)20)8(15)21-11-3-7-1-9(16,5-11)4-10(17,2-7)6-11;13-12(14,21(17,18)19)9(15)20-11-4-7-1-8(5-11)3-10(16,2-7)6-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11/h12*1-15H;8-14H,1-7H2,(H,21,22,23);4-10H2,1-3H3,(H,20,21,22);10-11H,2-8H2,1H3,(H,20,21,22);10H,3-9H2,1-2H3,(H,19,20,21);9-11H,3-8H2,1-2H3,(H,19,20,21);8-10H,1-7H2,(H,19,20,21);9-11H,1-8H2,(H,18,19,20);8-9,17H,1-7H2,(H,18,19,20);4-6,8-9H,1-3H2,(H,18,19,20);7,16-17H,1-6H2,(H,18,19,20);7-8,16H,1-6H2,(H,17,18,19);6-9,15H,1-5H2,(H,17,18,19)/q12*+1;;;;;;;;;;;;/p-12
InChIKeyAJRHSAOHTGSXJN-UHFFFAOYSA-B
MW7358.85 g/mol
LogP75.10
Rot. Bonds85

About 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)

2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium) (PubChem CID 157136466) has the molecular formula C383H394F24O71S24 and a molecular weight of 7358.85 g/mol. Its IUPAC name is 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium).

Molecular Properties

Compound Name2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)
PubChem CID157136466
Molecular FormulaC383H394F24O71S24
Molecular Weight7358.85 g/mol
Exact Mass7352.01
IUPAC Name2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)
SMILESCC(=O)C12CC3CC(CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C1)C2.CC(C)C12CC3CC(CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C1)C2.CC12CC3(C)CC(C)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C2)C3.CC12CC3CC(C)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C(COC(=O)C(F)(F)S(=O)(=O)[O-])OC1C2CC3C(=O)OC1C3C2.O=C(OC12CC3CC(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(O)(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC4C5CC(CC41)CC2C5C3)C(F)(F)S(=O)(=O)[O-].O=C(OCCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C1C2CC3CC1CC(CCOC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.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.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
InChIInChI=1S/12C18H15S.C17H22F2O5S.C16H24F2O5S.C15H20F2O6S.2C15H22F2O5S.C14H18F2O6S.C14H20F2O5S.C13H18F2O6S.C12H12F2O9S.C12H16F2O7S.2C12H16F2O6S/c12*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(19,25(21,22)23)15(20)24-7-16-6-9-2-11-10-1-8(4-13(11)16)5-14(16)12(10)3-9;1-12-4-13(2)6-14(3,5-12)9-15(7-12,8-13)10-23-11(19)16(17,18)24(20,21)22;1-9(18)14-5-10-2-11(6-14)4-13(3-10,7-14)8-23-12(19)15(16,17)24(20,21)22;1-12-3-10-4-13(2,6-12)8-14(5-10,7-12)9-22-11(18)15(16,17)23(19,20)21;1-9(2)13-4-10-3-11(5-13)7-14(6-10,8-13)22-12(18)15(16,17)23(19,20)21;15-14(16,23(19,20)21)12(18)22-2-1-13-5-8-3-9(6-13)11(17)10(4-8)7-13;15-14(16,22(18,19)20)12(17)21-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;14-13(15,22(18,19)20)10(16)21-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;13-12(14,24(18,19)20)11(17)21-3-7(15)22-8-4-1-5-6(2-4)10(16)23-9(5)8;13-12(14,22(18,19)20)8(15)21-11-3-7-1-9(16,5-11)4-10(17,2-7)6-11;13-12(14,21(17,18)19)9(15)20-11-4-7-1-8(5-11)3-10(16,2-7)6-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11/h12*1-15H;8-14H,1-7H2,(H,21,22,23);4-10H2,1-3H3,(H,20,21,22);10-11H,2-8H2,1H3,(H,20,21,22);10H,3-9H2,1-2H3,(H,19,20,21);9-11H,3-8H2,1-2H3,(H,19,20,21);8-10H,1-7H2,(H,19,20,21);9-11H,1-8H2,(H,18,19,20);8-9,17H,1-7H2,(H,18,19,20);4-6,8-9H,1-3H2,(H,18,19,20);7,16-17H,1-6H2,(H,18,19,20);7-8,16H,1-6H2,(H,17,18,19);6-9,15H,1-5H2,(H,17,18,19)/q12*+1;;;;;;;;;;;;/p-12
InChIKeyAJRHSAOHTGSXJN-UHFFFAOYSA-B
XLogP75.10
TPSA1189.89 Ų
H-Bond Donors5
H-Bond Acceptors71
Rotatable Bonds85
Heavy Atoms502
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007358.85
LogP ≤ 575.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1071

Analyze 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)?
The IUPAC name of 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium) (CID 157136466) is 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium).
What is the SMILES notation for 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)?
The canonical SMILES for 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium) is CC(=O)C12CC3CC(CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C1)C2.CC(C)C12CC3CC(CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C1)C2.CC12CC3(C)CC(C)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C2)C3.CC12CC3CC(C)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C(COC(=O)C(F)(F)S(=O)(=O)[O-])OC1C2CC3C(=O)OC1C3C2.O=C(OC12CC3CC(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OC12CC3CC(O)(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC4C5CC(CC41)CC2C5C3)C(F)(F)S(=O)(=O)[O-].O=C(OCCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C1C2CC3CC1CC(CCOC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.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.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 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)?
The InChIKey is AJRHSAOHTGSXJN-UHFFFAOYSA-B. The full InChI is InChI=1S/12C18H15S.C17H22F2O5S.C16H24F2O5S.C15H20F2O6S.2C15H22F2O5S.C14H18F2O6S.C14H20F2O5S.C13H18F2O6S.C12H12F2O9S.C12H16F2O7S.2C12H16F2O6S/c12*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-17(19,25(21,22)23)15(20)24-7-16-6-9-2-11-10-1-8(4-13(11)16)5-14(16)12(10)3-9;1-12-4-13(2)6-14(3,5-12)9-15(7-12,8-13)10-23-11(19)16(17,18)24(20,21)22;1-9(18)14-5-10-2-11(6-14)4-13(3-10,7-14)8-23-12(19)15(16,17)24(20,21)22;1-12-3-10-4-13(2,6-12)8-14(5-10,7-12)9-22-11(18)15(16,17)23(19,20)21;1-9(2)13-4-10-3-11(5-13)7-14(6-10,8-13)22-12(18)15(16,17)23(19,20)21;15-14(16,23(19,20)21)12(18)22-2-1-13-5-8-3-9(6-13)11(17)10(4-8)7-13;15-14(16,22(18,19)20)12(17)21-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;14-13(15,22(18,19)20)10(16)21-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;13-12(14,24(18,19)20)11(17)21-3-7(15)22-8-4-1-5-6(2-4)10(16)23-9(5)8;13-12(14,22(18,19)20)8(15)21-11-3-7-1-9(16,5-11)4-10(17,2-7)6-11;13-12(14,21(17,18)19)9(15)20-11-4-7-1-8(5-11)3-10(16,2-7)6-11;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11/h12*1-15H;8-14H,1-7H2,(H,21,22,23);4-10H2,1-3H3,(H,20,21,22);10-11H,2-8H2,1H3,(H,20,21,22);10H,3-9H2,1-2H3,(H,19,20,21);9-11H,3-8H2,1-2H3,(H,19,20,21);8-10H,1-7H2,(H,19,20,21);9-11H,1-8H2,(H,18,19,20);8-9,17H,1-7H2,(H,18,19,20);4-6,8-9H,1-3H2,(H,18,19,20);7,16-17H,1-6H2,(H,18,19,20);7-8,16H,1-6H2,(H,17,18,19);6-9,15H,1-5H2,(H,17,18,19)/q12*+1;;;;;;;;;;;;/p-12.
What are the key properties of 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium)?
2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium) has a molecular weight of 7358.85 g/mol, XLogP of 75.10, 85 rotatable bonds, 5 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-(1-adamantyl)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[2-(4-oxo-1-adamantyl)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanylmethoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-[(3-propan-2-yl-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(3,5,7-trimethyl-1-adamantyl)methoxy]ethanesulfonate;2-[(3,5-dihydroxy-1-adamantyl)oxy]-1,1-difluoro-2-oxoethanesulfonate;2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;dodecakis(triphenylsulfanium) is sourced from PubChem (CID 157136466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).