adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)

C291H442F3I4N8O43S3+ — CID 159585347

IUPACadamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)
SMILESCC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.CC(O)(C(=O)[O-])C(F)(F)F.CCC(C)(C)C1CCCC(=O)C1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.COCC[N+](CCOC)(CCOC)CCOC.C[N+](C)(C)C1CCCCC1.C[N+](C)(C)C1CCCCC1.C[N+](CCO)(CCO)CCO.C[N+](CCO)(CCO)CCO.O=C(O)c1cc2ccccc2cc1[O-].O=C(OCCCCS(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccc2ccccc2c1.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C1CCCCC1.O=C([O-])Cc1ccccc1.O=C([O-])c1cccc(C(=O)c2ccccc2)c1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C22H30I.C20H26I.C19H18O5S.3C16H36N.C15H24O3S.C14H14O5S.C14H10O3.2C12H10I.C12H28NO4.C11H8O3.C11H16O2.C11H14O2.C11H20O.2C9H20N.C8H8O2.C8H16O2.2C7H18NO3.C7H12O2.C4H5F3O3/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;20-19(24-11-5-6-12-25(21,22)23)18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;15-14(19-8-3-9-20(16,17)18)13-7-6-11-4-1-2-5-12(11)10-13;15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-14-9-5-13(6-10-15-2,7-11-16-3)8-12-17-4;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-4-11(2,3)9-6-5-7-10(12)8-9;2*1-10(2,3)9-7-5-4-6-8-9;9-8(10)6-7-4-2-1-3-5-7;1-2-3-4-5-6-7-8(9)10;2*1-8(2-5-9,3-6-10)4-7-11;8-7(9)6-4-2-1-3-5-6;1-3(10,2(8)9)4(5,6)7/h9-16H,7-8H2,1-6H3;7-14H,1-6H3;1-4,7-10,13H,5-6,11-12H2,(H,21,22,23);3*5-16H2,1-4H3;7-11H,1-6H3,(H,16,17,18);1-2,4-7,10H,3,8-9H2,(H,16,17,18);1-9H,(H,16,17);2*1-10H;5-12H2,1-4H3;1-6,12H,(H,13,14);7-9H,1-6H2,(H,12,13);4-7H,1-3H3,(H,12,13);9H,4-8H2,1-3H3;2*9H,4-8H2,1-3H3;1-5H,6H2,(H,9,10);2-7H2,1H3,(H,9,10);2*9-11H,2-7H2,1H3;6H,1-5H2,(H,8,9);10H,1H3,(H,8,9)/q2*+1;;3*+1;;;;3*+1;;;;;2*+1;;;2*+1;;/p-11
InChIKeyMJNUSWWXNSKQCT-UHFFFAOYSA-C
MW5401.56 g/mol
LogP39.69
Rot. Bonds107

About adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)

adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium) (PubChem CID 159585347) has the molecular formula C291H442F3I4N8O43S3+ and a molecular weight of 5401.56 g/mol. Its IUPAC name is adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium).

Molecular Properties

Compound Nameadamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)
PubChem CID159585347
Molecular FormulaC291H442F3I4N8O43S3+
Molecular Weight5401.56 g/mol
Exact Mass5397.79
IUPAC Nameadamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)
SMILESCC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.CC(O)(C(=O)[O-])C(F)(F)F.CCC(C)(C)C1CCCC(=O)C1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.COCC[N+](CCOC)(CCOC)CCOC.C[N+](C)(C)C1CCCCC1.C[N+](C)(C)C1CCCCC1.C[N+](CCO)(CCO)CCO.C[N+](CCO)(CCO)CCO.O=C(O)c1cc2ccccc2cc1[O-].O=C(OCCCCS(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccc2ccccc2c1.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C1CCCCC1.O=C([O-])Cc1ccccc1.O=C([O-])c1cccc(C(=O)c2ccccc2)c1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C22H30I.C20H26I.C19H18O5S.3C16H36N.C15H24O3S.C14H14O5S.C14H10O3.2C12H10I.C12H28NO4.C11H8O3.C11H16O2.C11H14O2.C11H20O.2C9H20N.C8H8O2.C8H16O2.2C7H18NO3.C7H12O2.C4H5F3O3/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;20-19(24-11-5-6-12-25(21,22)23)18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;15-14(19-8-3-9-20(16,17)18)13-7-6-11-4-1-2-5-12(11)10-13;15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-14-9-5-13(6-10-15-2,7-11-16-3)8-12-17-4;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-4-11(2,3)9-6-5-7-10(12)8-9;2*1-10(2,3)9-7-5-4-6-8-9;9-8(10)6-7-4-2-1-3-5-7;1-2-3-4-5-6-7-8(9)10;2*1-8(2-5-9,3-6-10)4-7-11;8-7(9)6-4-2-1-3-5-6;1-3(10,2(8)9)4(5,6)7/h9-16H,7-8H2,1-6H3;7-14H,1-6H3;1-4,7-10,13H,5-6,11-12H2,(H,21,22,23);3*5-16H2,1-4H3;7-11H,1-6H3,(H,16,17,18);1-2,4-7,10H,3,8-9H2,(H,16,17,18);1-9H,(H,16,17);2*1-10H;5-12H2,1-4H3;1-6,12H,(H,13,14);7-9H,1-6H2,(H,12,13);4-7H,1-3H3,(H,12,13);9H,4-8H2,1-3H3;2*9H,4-8H2,1-3H3;1-5H,6H2,(H,9,10);2-7H2,1H3,(H,9,10);2*9-11H,2-7H2,1H3;6H,1-5H2,(H,8,9);10H,1H3,(H,8,9)/q2*+1;;3*+1;;;;3*+1;;;;;2*+1;;;2*+1;;/p-11
InChIKeyMJNUSWWXNSKQCT-UHFFFAOYSA-C
XLogP39.69
TPSA778.14 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds107
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005401.56
LogP ≤ 539.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium) with MolForge

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Related Compounds

3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;3-(1-adamantyl)-2,2-difluoro-3-hydroxypropanoate;3-carboxynaphthalen-2-olate;cyclohexyl(trimethyl)azanium;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;octanoate;2-phenylacetate;tetrakis(tetrabutylazanium);tris(2-hydroxyethyl)-methylazanium
CID 161202025
2-(2-carboxybenzoyl)oxyethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;tetrakis(tetrabutylazanium);2,4,6-tri(propan-2-yl)benzenesulfonate
CID 157422070
bis(3-(1-adamantyl)-2,2-difluoro-3-hydroxypropanoate);4-tert-butylbenzoate;bis((4-tert-butylphenyl)-diphenylsulfanium);cyclohexanecarboxylate;2,2-difluoro-2-(2-hydroxy-2-adamantyl)acetate;tris(diphenyliodanium);3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;triphenylsulfanium
CID 161295593
adamantane-1-carboxylate;2-carboxyphenolate;4-chlorobenzoate;cyclohexanecarboxylate;4-methoxybenzoate;2-(4-methoxyphenyl)acetate;pentanoate;phenylsulfanium;propanoate;acetate
CID 159872947
benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate
CID 160988074
3-acetyloxy-2,2-difluorobutanoate;3-(adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;adamantane-1-carboxylate;anthracene-1-carboxylate;anthracene-2-carboxylate;anthracene-9-carboxylate;bicyclo[2.2.1]heptane-2-carboxylate;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;5-carboxynaphthalen-1-olate;6-carboxynaphthalen-2-olate;2-carboxyphenolate;4-carboxyphenolate;cyclohexanecarboxylate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate;9,10-dioxoanthracene-2-carboxylate;3-hydroxyadamantane-1-carboxylate;4-methylbenzoate;2-methylpropanoate;naphthalene-1-carboxylate;naphthalene-2-carboxylate;4-oxoadamantane-1-carboxylate;5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,3,4,5,6-pentafluorobenzoate;2,2,3,3,3-pentafluoropropanoate;propanoate;2,3,5,6-tetrafluoro-4-methoxybenzoate;2,3,5,6-tetrafluoro-4-phenylbenzoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;tricyclo[5.2.1.02,6]decane-8-carboxylate;2,2,2-trifluoroacetate;4,4,4-trifluoro-3-hydroxy-3-methylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate;3,3,3-trifluoropropanoate;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate;acetate;benzoate
CID 160806132
2-acetyloxyacetate;2-(adamantane-1-carbonyloxy)acetate;adamantane-1-carboxylate;benzene;bicyclo[2.2.1]heptane;butanoate;2-carboxy-5-(trifluoromethyl)phenolate;dodecanoate;2-hydroxyacetate;2-hydroxy-2-methylpropanoate;2-methoxyacetate;2-methoxy-2-methylpropanoate;bis(octanoate);phenol;2-phenoxyacetate;tetracyclo[6.2.1.13,6.02,7]dodecane;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyacetate;hexaacetate
CID 159057406
3-(adamantane-1-carbonyloxy)-4-methylpentanoate;2-(1-adamantyloxy)-2-oxoacetate;4-tert-butylbenzoate;2-carboxyphenolate;3,3-difluorobutanoate;2,4,6-tricyclohexylbenzoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;heptakis(triphenylsulfanium)
CID 157482569
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;1-methyl-3,5-bis(trifluoromethyl)benzene;[4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);2-(thiolan-1-ium-1-yl)-2,3-dihydroinden-1-one;toluene;trifluoromethanesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate;1,2-xylene
CID 159513884
2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;cyclohexyl-methyl-phenylsulfanium;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
CID 159550077
adamantane-1-carboxylic acid;bis(4-tert-butylphenyl)iodanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;2,4-difluoro-6-hydroxybenzoic acid;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;2-hydroxybenzoic acid;octanoic acid;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
CID 157148557
bis(4-tert-butylphenyl)iodanium;bis(bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate;hydrogen carbonate;methylsulfonyl(trifluoromethylsulfonyl)azanide;2,3,4,5,6-pentafluorophenolate;tris(triphenylsulfanium);2,4,6-tri(propan-2-yl)benzenesulfonate
CID 163726064

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)?
The IUPAC name of adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium) (CID 159585347) is adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium).
What is the SMILES notation for adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)?
The canonical SMILES for adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium) is CC(C)(C)c1ccc(C(=O)[O-])cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.CC(O)(C(=O)[O-])C(F)(F)F.CCC(C)(C)C1CCCC(=O)C1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.COCC[N+](CCOC)(CCOC)CCOC.C[N+](C)(C)C1CCCCC1.C[N+](C)(C)C1CCCCC1.C[N+](CCO)(CCO)CCO.C[N+](CCO)(CCO)CCO.O=C(O)c1cc2ccccc2cc1[O-].O=C(OCCCCS(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccc2ccccc2c1.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C1CCCCC1.O=C([O-])Cc1ccccc1.O=C([O-])c1cccc(C(=O)c2ccccc2)c1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)?
The InChIKey is MJNUSWWXNSKQCT-UHFFFAOYSA-C. The full InChI is InChI=1S/C22H30I.C20H26I.C19H18O5S.3C16H36N.C15H24O3S.C14H14O5S.C14H10O3.2C12H10I.C12H28NO4.C11H8O3.C11H16O2.C11H14O2.C11H20O.2C9H20N.C8H8O2.C8H16O2.2C7H18NO3.C7H12O2.C4H5F3O3/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;20-19(24-11-5-6-12-25(21,22)23)18-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)18;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;15-14(19-8-3-9-20(16,17)18)13-7-6-11-4-1-2-5-12(11)10-13;15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-14-9-5-13(6-10-15-2,7-11-16-3)8-12-17-4;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-4-11(2,3)9-6-5-7-10(12)8-9;2*1-10(2,3)9-7-5-4-6-8-9;9-8(10)6-7-4-2-1-3-5-7;1-2-3-4-5-6-7-8(9)10;2*1-8(2-5-9,3-6-10)4-7-11;8-7(9)6-4-2-1-3-5-6;1-3(10,2(8)9)4(5,6)7/h9-16H,7-8H2,1-6H3;7-14H,1-6H3;1-4,7-10,13H,5-6,11-12H2,(H,21,22,23);3*5-16H2,1-4H3;7-11H,1-6H3,(H,16,17,18);1-2,4-7,10H,3,8-9H2,(H,16,17,18);1-9H,(H,16,17);2*1-10H;5-12H2,1-4H3;1-6,12H,(H,13,14);7-9H,1-6H2,(H,12,13);4-7H,1-3H3,(H,12,13);9H,4-8H2,1-3H3;2*9H,4-8H2,1-3H3;1-5H,6H2,(H,9,10);2-7H2,1H3,(H,9,10);2*9-11H,2-7H2,1H3;6H,1-5H2,(H,8,9);10H,1H3,(H,8,9)/q2*+1;;3*+1;;;;3*+1;;;;;2*+1;;;2*+1;;/p-11.
What are the key properties of adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)?
adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium) has a molecular weight of 5401.56 g/mol, XLogP of 39.69, 107 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium) is sourced from PubChem (CID 159585347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).