4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate

C168H226O31S7-6 — CID 158220611

IUPAC4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate
SMILESCC(C)c1cc(OC(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OS(=O)(=O)c2ccc(C3CCCCCCCCCCC3)cc2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1ccc(C2CCCCC2)cc1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C37H52O5S.C30H44O6S2.C27H38O5S.C26H36O5S.C25H32O5S.C23H30O5S/c1-24(2)31-22-30(23-32(25(3)4)36(31)43(39,40)41)42-37(38)35-33(27-16-10-6-11-17-27)20-29(26-14-8-5-9-15-26)21-34(35)28-18-12-7-13-19-28;1-22(2)28-20-26(21-29(23(3)4)30(28)37(31,32)33)36-38(34,35)27-18-16-25(17-19-27)24-14-12-10-8-6-5-7-9-11-13-15-24;1-16(2)22-14-21(15-23(17(3)4)24(22)33(29,30)31)32-25(28)18-11-19(26(5,6)7)13-20(12-18)27(8,9)10;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30;1-16(2)21-15-24(31(27,28)29)22(17(3)4)14-23(21)30-25(26)20-12-10-19(11-13-20)18-8-6-5-7-9-18;1-14(2)19-12-18(13-20(15(3)4)21(19)29(25,26)27)28-22(24)16-8-10-17(11-9-16)23(5,6)7/h20-28H,5-19H2,1-4H3,(H,39,40,41);16-24H,5-15H2,1-4H3,(H,31,32,33);11-17H,1-10H3,(H,29,30,31);10-17H,1-9H3,(H,28,29,30);10-18H,5-9H2,1-4H3,(H,27,28,29);8-15H,1-7H3,(H,25,26,27)/p-6
InChIKeyGDESQPGZWGOCMO-UHFFFAOYSA-H
MW2966.09 g/mol
LogP42.92
Rot. Bonds38

About 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate

4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate (PubChem CID 158220611) has the molecular formula C168H226O31S7-6 and a molecular weight of 2966.09 g/mol. Its IUPAC name is 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate.

Molecular Properties

Compound Name4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate
PubChem CID158220611
Molecular FormulaC168H226O31S7-6
Molecular Weight2966.09 g/mol
Exact Mass2963.42
IUPAC Name4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate
SMILESCC(C)c1cc(OC(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OS(=O)(=O)c2ccc(C3CCCCCCCCCCC3)cc2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1ccc(C2CCCCC2)cc1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C37H52O5S.C30H44O6S2.C27H38O5S.C26H36O5S.C25H32O5S.C23H30O5S/c1-24(2)31-22-30(23-32(25(3)4)36(31)43(39,40)41)42-37(38)35-33(27-16-10-6-11-17-27)20-29(26-14-8-5-9-15-26)21-34(35)28-18-12-7-13-19-28;1-22(2)28-20-26(21-29(23(3)4)30(28)37(31,32)33)36-38(34,35)27-18-16-25(17-19-27)24-14-12-10-8-6-5-7-9-11-13-15-24;1-16(2)22-14-21(15-23(17(3)4)24(22)33(29,30)31)32-25(28)18-11-19(26(5,6)7)13-20(12-18)27(8,9)10;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30;1-16(2)21-15-24(31(27,28)29)22(17(3)4)14-23(21)30-25(26)20-12-10-19(11-13-20)18-8-6-5-7-9-18;1-14(2)19-12-18(13-20(15(3)4)21(19)29(25,26)27)28-22(24)16-8-10-17(11-9-16)23(5,6)7/h20-28H,5-19H2,1-4H3,(H,39,40,41);16-24H,5-15H2,1-4H3,(H,31,32,33);11-17H,1-10H3,(H,29,30,31);10-17H,1-9H3,(H,28,29,30);10-18H,5-9H2,1-4H3,(H,27,28,29);8-15H,1-7H3,(H,25,26,27)/p-6
InChIKeyGDESQPGZWGOCMO-UHFFFAOYSA-H
XLogP42.92
TPSA518.07 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002966.09
LogP ≤ 542.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate with MolForge

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Related Compounds

4-[4-[4-[(3,6-Disulfo-1-naphthyl)oxycarbonyl]phenyl]benzoyl]oxynaphthalene-2,7-disulfonic acid
CID 455629
5-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]-2-(4-sulfophenyl)benzenesulfonic acid
CID 59816942
3,5-Dimethylbenzoic acid;[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;5-methyl-2-(4-methyl-2-sulfophenyl)benzenesulfonic acid;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethyl-5-[(3,4,5-trimethylphenyl)methyl]benzene
CID 157280796
1-(Benzenesulfonylsulfonyl)-4-butan-2-ylbenzene;[4-(4-butan-2-ylbenzoyl)oxyphenyl]-phenyliodanium;[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;[4-(4-methoxyphenyl)sulfonylsulfonylphenyl] 2,2-dimethylbutanoate;1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene
CID 157386586
2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;4-tert-butylbenzoate;(4-tert-butylphenyl)-diphenylsulfanium;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium);bis(2,4,6-tri(propan-2-yl)benzenesulfonate)
CID 157550170
Bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;1,2-dimethyl-4-(4-methylphenoxy)benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157710345
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;bis(2,4,6-tricyclohexylbenzenesulfonate);triphenylsulfanium
CID 157983872
1-(Benzenesulfonylsulfonyl)-4-butan-2-ylbenzene;[4-(4-butan-2-ylbenzoyl)oxyphenyl]-phenyliodanium;[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenyl]-diphenylsulfanium;[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;methane;[4-(4-methoxyphenyl)sulfonylsulfonylphenyl] 2,2-dimethylbutanoate;1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,4-xylene
CID 158380163
1-(Benzenesulfonylsulfonyl)-4-butan-2-ylbenzene;[4-(4-butan-2-ylbenzoyl)oxyphenyl]-phenyliodanium;[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenyl]-diphenylsulfanium;methane;[4-(4-methoxyphenyl)sulfonylsulfonylphenyl] 2,2-dimethylbutanoate;1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene
CID 158522797
2-(Adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonic acid;4-(1-adamantyl)benzenesulfonic acid;4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;3,5-bis(1-adamantylmethoxycarbonyl)benzenesulfonic acid;3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid
CID 158643424
(2-Methyl-4-prop-2-enoylsulfanylphenyl) 4-prop-2-enoylsulfanylbenzoate;bis((3-methyl-4-prop-2-enoylsulfanylphenyl) 4-prop-2-enoylsulfanylbenzoate);(4-prop-2-enoylsulfanylphenyl) 3-fluoro-4-prop-2-enoylsulfanylbenzoate;(4-prop-2-enoylsulfanylphenyl) 3-methyl-4-prop-2-enoylsulfanylbenzoate;(4-prop-2-enoylsulfanylphenyl) 4-prop-2-enoylsulfanyl-2-(trifluoromethyl)benzoate
CID 158733131
sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 158864908

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
The IUPAC name of 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate (CID 158220611) is 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate.
What is the SMILES notation for 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
The canonical SMILES for 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate is CC(C)c1cc(OC(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OC(=O)c2ccc(C(C)(C)C)cc2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OS(=O)(=O)c2ccc(C3CCCCCCCCCCC3)cc2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1ccc(C2CCCCC2)cc1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
The InChIKey is GDESQPGZWGOCMO-UHFFFAOYSA-H. The full InChI is InChI=1S/C37H52O5S.C30H44O6S2.C27H38O5S.C26H36O5S.C25H32O5S.C23H30O5S/c1-24(2)31-22-30(23-32(25(3)4)36(31)43(39,40)41)42-37(38)35-33(27-16-10-6-11-17-27)20-29(26-14-8-5-9-15-26)21-34(35)28-18-12-7-13-19-28;1-22(2)28-20-26(21-29(23(3)4)30(28)37(31,32)33)36-38(34,35)27-18-16-25(17-19-27)24-14-12-10-8-6-5-7-9-11-13-15-24;1-16(2)22-14-21(15-23(17(3)4)24(22)33(29,30)31)32-25(28)18-11-19(26(5,6)7)13-20(12-18)27(8,9)10;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30;1-16(2)21-15-24(31(27,28)29)22(17(3)4)14-23(21)30-25(26)20-12-10-19(11-13-20)18-8-6-5-7-9-18;1-14(2)19-12-18(13-20(15(3)4)21(19)29(25,26)27)28-22(24)16-8-10-17(11-9-16)23(5,6)7/h20-28H,5-19H2,1-4H3,(H,39,40,41);16-24H,5-15H2,1-4H3,(H,31,32,33);11-17H,1-10H3,(H,29,30,31);10-17H,1-9H3,(H,28,29,30);10-18H,5-9H2,1-4H3,(H,27,28,29);8-15H,1-7H3,(H,25,26,27)/p-6.
What are the key properties of 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate has a molecular weight of 2966.09 g/mol, XLogP of 42.92, 38 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclododecylphenyl)sulfonyloxy-2,6-di(propan-2-yl)benzenesulfonate;4-(4-cyclohexylbenzoyl)oxy-2,5-di(propan-2-yl)benzenesulfonate;4-(3,5-ditert-butylbenzoyl)oxy-2,6-di(propan-2-yl)benzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate is sourced from PubChem (CID 158220611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).