3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate

C123H130F4O35S6 — CID 159693203

IUPAC3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate
SMILESCC(=O)C(C)(COS(=O)(=O)c1ccc(F)cc1)C(=O)OC1CCc2ccccc2O1.CCC(COS(=O)(=O)c1cc(C)cc(C(F)(F)F)c1)(C(C)=O)C(=O)OC(C)c1ccc(OC)cc1.CCC(OC(=O)C(C)(COS(=O)(=O)c1ccccc1)S(C)=O)Oc1ccccc1.Cc1ccc(S(=O)(=O)OCC(C)(C(=O)OCOc2cccc3ccccc23)C(=O)C2CCCCC2)cc1.Cc1ccc(S(=O)(=O)OCC(C)(C(=O)OCOc2cccc3ccccc23)C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H32O7S.C29H26O7S.C24H27F3O7S.C21H21FO7S.C20H24O7S2/c2*1-21-15-17-24(18-16-21)37(32,33)36-19-29(2,27(30)23-10-4-3-5-11-23)28(31)35-20-34-26-14-8-12-22-9-6-7-13-25(22)26;1-6-23(17(4)28,22(29)34-16(3)18-7-9-20(32-5)10-8-18)14-33-35(30,31)21-12-15(2)11-19(13-21)24(25,26)27;1-14(23)21(2,13-27-30(25,26)17-10-8-16(22)9-11-17)20(24)29-19-12-7-15-5-3-4-6-18(15)28-19;1-4-18(26-16-11-7-5-8-12-16)27-19(21)20(2,28(3)22)15-25-29(23,24)17-13-9-6-10-14-17/h6-9,12-18,23H,3-5,10-11,19-20H2,1-2H3;3-18H,19-20H2,1-2H3;7-13,16H,6,14H2,1-5H3;3-6,8-11,19H,7,12-13H2,1-2H3;5-14,18H,4,15H2,1-3H3
InChIKeyMWRDHDVUADSXLS-UHFFFAOYSA-N
MW2436.75 g/mol
LogP21.84
Rot. Bonds47

About 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate

3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate (PubChem CID 159693203) has the molecular formula C123H130F4O35S6 and a molecular weight of 2436.75 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate
PubChem CID159693203
Molecular FormulaC123H130F4O35S6
Molecular Weight2436.75 g/mol
Exact Mass2434.67
IUPAC Name3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate
SMILESCC(=O)C(C)(COS(=O)(=O)c1ccc(F)cc1)C(=O)OC1CCc2ccccc2O1.CCC(COS(=O)(=O)c1cc(C)cc(C(F)(F)F)c1)(C(C)=O)C(=O)OC(C)c1ccc(OC)cc1.CCC(OC(=O)C(C)(COS(=O)(=O)c1ccccc1)S(C)=O)Oc1ccccc1.Cc1ccc(S(=O)(=O)OCC(C)(C(=O)OCOc2cccc3ccccc23)C(=O)C2CCCCC2)cc1.Cc1ccc(S(=O)(=O)OCC(C)(C(=O)OCOc2cccc3ccccc23)C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H32O7S.C29H26O7S.C24H27F3O7S.C21H21FO7S.C20H24O7S2/c2*1-21-15-17-24(18-16-21)37(32,33)36-19-29(2,27(30)23-10-4-3-5-11-23)28(31)35-20-34-26-14-8-12-22-9-6-7-13-25(22)26;1-6-23(17(4)28,22(29)34-16(3)18-7-9-20(32-5)10-8-18)14-33-35(30,31)21-12-15(2)11-19(13-21)24(25,26)27;1-14(23)21(2,13-27-30(25,26)17-10-8-16(22)9-11-17)20(24)29-19-12-7-15-5-3-4-6-18(15)28-19;1-4-18(26-16-11-7-5-8-12-16)27-19(21)20(2,28(3)22)15-25-29(23,24)17-13-9-6-10-14-17/h6-9,12-18,23H,3-5,10-11,19-20H2,1-2H3;3-18H,19-20H2,1-2H3;7-13,16H,6,14H2,1-5H3;3-6,8-11,19H,7,12-13H2,1-2H3;5-14,18H,4,15H2,1-3H3
InChIKeyMWRDHDVUADSXLS-UHFFFAOYSA-N
XLogP21.84
TPSA479.85 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds47
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002436.75
LogP ≤ 521.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate with MolForge

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Related Compounds

4-[2-(4-Butan-2-yl-2-methoxycarbonylphenoxy)ethoxy]benzenesulfonate;1-butan-2-yl-5-(1-methoxyethoxy)naphthalene;5-butan-2-ylnaphthalen-1-ol;3-(5-butan-2-ylnaphthalen-1-yl)oxy-1,1-difluoro-3-oxopropane-1-sulfonate;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;methyl 5-butan-2-yl-2-(1-ethoxyethoxy)benzoate;methyl 5-butan-2-yl-2-hydroxybenzoate;tris(triphenylsulfanium)
CID 157239278
2-[4-(4-Diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;6-(4-diphenylsulfoniophenoxy)-1,1,2,2,3,3-hexafluorohexane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;4-(4-diphenylsulfoniophenoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate
CID 157628802
1,1'-Biphenyl;bis(3,4-dimethylphenyl)methanone;1,4-ditert-butyl-2,5-bis(3,4-dimethylphenoxy)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl 3,4-dimethylbenzoate;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 157684484
3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;2-[4-decyl-6-(2-octylsulfonyloxyethyl)-1,3,5-trioxan-2-yl]ethyl octane-1-sulfonate;(5,5-dimethyl-3-oxocyclohexen-1-yl) naphthalene-2-sulfonate;1-methoxypropan-2-yl 4-methylbenzenesulfonate;2-methyl-1-(4-methylphenoxy)propan-2-ol;2-methyl-1-[2,4,6-tri(propan-2-yl)phenoxy]propan-2-ol;bis(sulfur dioxide);sulfur trioxide
CID 157883686
1,1'-Biphenyl;bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl 3,4-dimethylbenzoate;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;methane;naphthalene;1,2,4,5-tetramethylbenzene
CID 158579850
1,1-Difluoro-2-[3-(2,3,5-trimethylbenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] 2,3,5-trimethylbenzoate;1,1,3,3,3-pentafluoro-2-[5-(2,3,5-trimethylbenzoyl)oxyadamantane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-trimethylbenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-trimethylbenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-trimethylbenzoyl)oxypropanoyloxy]propane-1-sulfonate
CID 159017007
4-(Benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene
CID 159231719
4-[(6-Ethenylnaphthalen-2-yl)oxymethyl]benzenesulfonate;2-[2-(4-ethenylphenoxy)acetyl]benzenesulfonate;(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate;4-[[3-[(4-ethenylphenoxy)methyl]adamantane-1-carbonyl]oxymethyl]benzenesulfonate;2-[2-(4-ethenylphenoxy)-2-oxoethyl]benzenesulfonate
CID 159565592
1,1'-Biphenyl;bis(3,4-dimethylphenyl)methanone;1,4-bis(3-methylphenoxy)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene
CID 159736837
1,1'-Biphenyl;bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl 3,4-dimethylbenzoate;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 160058013
2-[4-(4-Diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 160151862
2-(4-Diphenylsulfonio-2,6-dimethylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 161196105

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate (CID 159693203) is 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate is CC(=O)C(C)(COS(=O)(=O)c1ccc(F)cc1)C(=O)OC1CCc2ccccc2O1.CCC(COS(=O)(=O)c1cc(C)cc(C(F)(F)F)c1)(C(C)=O)C(=O)OC(C)c1ccc(OC)cc1.CCC(OC(=O)C(C)(COS(=O)(=O)c1ccccc1)S(C)=O)Oc1ccccc1.Cc1ccc(S(=O)(=O)OCC(C)(C(=O)OCOc2cccc3ccccc23)C(=O)C2CCCCC2)cc1.Cc1ccc(S(=O)(=O)OCC(C)(C(=O)OCOc2cccc3ccccc23)C(=O)c2ccccc2)cc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate?
The InChIKey is MWRDHDVUADSXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O7S.C29H26O7S.C24H27F3O7S.C21H21FO7S.C20H24O7S2/c2*1-21-15-17-24(18-16-21)37(32,33)36-19-29(2,27(30)23-10-4-3-5-11-23)28(31)35-20-34-26-14-8-12-22-9-6-7-13-25(22)26;1-6-23(17(4)28,22(29)34-16(3)18-7-9-20(32-5)10-8-18)14-33-35(30,31)21-12-15(2)11-19(13-21)24(25,26)27;1-14(23)21(2,13-27-30(25,26)17-10-8-16(22)9-11-17)20(24)29-19-12-7-15-5-3-4-6-18(15)28-19;1-4-18(26-16-11-7-5-8-12-16)27-19(21)20(2,28(3)22)15-25-29(23,24)17-13-9-6-10-14-17/h6-9,12-18,23H,3-5,10-11,19-20H2,1-2H3;3-18H,19-20H2,1-2H3;7-13,16H,6,14H2,1-5H3;3-6,8-11,19H,7,12-13H2,1-2H3;5-14,18H,4,15H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate?
3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate has a molecular weight of 2436.75 g/mol, XLogP of 21.84, 47 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl 2-[(4-fluorophenyl)sulfonyloxymethyl]-2-methyl-3-oxobutanoate;1-(4-methoxyphenyl)ethyl 2-ethyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]-3-oxobutanoate;naphthalen-1-yloxymethyl 3-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxopropanoate;naphthalen-1-yloxymethyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-3-phenylpropanoate;1-phenoxypropyl 3-(benzenesulfonyloxy)-2-methyl-2-methylsulfinylpropanoate is sourced from PubChem (CID 159693203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).