4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate

C189H266O34S10-6 — CID 159502070

IUPAC4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2c(C(C)C)cc(S(=O)(=O)[O-])cc2C(C)C)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c2)c(C(C)C)c1.CC(C)c1cc(OC(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OS(=O)(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.O=S(=O)([O-])c1c(C2CCCCC2)cc(OS(=O)(=O)c2ccc(C3CCCCCCCCCCC3)cc2)cc1C1CCCCC1
InChIInChI=1S/C37H52O5S.2C36H52O6S2.2C27H40O6S2.C26H36O5S/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;1-24(2)31-22-30(23-32(25(3)4)35(31)43(37,38)39)42-44(40,41)36-33(27-16-10-6-11-17-27)20-29(26-14-8-5-9-15-26)21-34(36)28-18-12-7-13-19-28;37-43(38,39)36-34(30-18-12-8-13-19-30)26-32(27-35(36)31-20-14-9-15-21-31)42-44(40,41)33-24-22-29(23-25-33)28-16-10-6-4-2-1-3-5-7-11-17-28;1-15(2)20-11-24(18(7)8)27(25(12-20)19(9)10)35(31,32)33-26-22(16(3)4)13-21(34(28,29)30)14-23(26)17(5)6;1-15(2)20-11-22(16(3)4)27(23(12-20)17(5)6)35(31,32)33-21-13-24(18(7)8)26(34(28,29)30)25(14-21)19(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/h20-28H,5-19H2,1-4H3,(H,39,40,41);20-28H,5-19H2,1-4H3,(H,37,38,39);22-28,30-31H,1-21H2,(H,37,38,39);2*11-19H,1-10H3,(H,28,29,30);10-17H,1-9H3,(H,28,29,30)/p-6
InChIKeyLZNBCMLDQSAJSF-UHFFFAOYSA-H
MW3402.84 g/mol
LogP50.35
Rot. Bonds49

About 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate

4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate (PubChem CID 159502070) has the molecular formula C189H266O34S10-6 and a molecular weight of 3402.84 g/mol. Its IUPAC name is 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate.

Molecular Properties

Compound Name4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate
PubChem CID159502070
Molecular FormulaC189H266O34S10-6
Molecular Weight3402.84 g/mol
Exact Mass3399.63
IUPAC Name4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2c(C(C)C)cc(S(=O)(=O)[O-])cc2C(C)C)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c2)c(C(C)C)c1.CC(C)c1cc(OC(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OS(=O)(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.O=S(=O)([O-])c1c(C2CCCCC2)cc(OS(=O)(=O)c2ccc(C3CCCCCCCCCCC3)cc2)cc1C1CCCCC1
InChIInChI=1S/C37H52O5S.2C36H52O6S2.2C27H40O6S2.C26H36O5S/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;1-24(2)31-22-30(23-32(25(3)4)35(31)43(37,38)39)42-44(40,41)36-33(27-16-10-6-11-17-27)20-29(26-14-8-5-9-15-26)21-34(36)28-18-12-7-13-19-28;37-43(38,39)36-34(30-18-12-8-13-19-30)26-32(27-35(36)31-20-14-9-15-21-31)42-44(40,41)33-24-22-29(23-25-33)28-16-10-6-4-2-1-3-5-7-11-17-28;1-15(2)20-11-24(18(7)8)27(25(12-20)19(9)10)35(31,32)33-26-22(16(3)4)13-21(34(28,29)30)14-23(26)17(5)6;1-15(2)20-11-22(16(3)4)27(23(12-20)17(5)6)35(31,32)33-21-13-24(18(7)8)26(34(28,29)30)25(14-21)19(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/h20-28H,5-19H2,1-4H3,(H,39,40,41);20-28H,5-19H2,1-4H3,(H,37,38,39);22-28,30-31H,1-21H2,(H,37,38,39);2*11-19H,1-10H3,(H,28,29,30);10-17H,1-9H3,(H,28,29,30)/p-6
InChIKeyLZNBCMLDQSAJSF-UHFFFAOYSA-H
XLogP50.35
TPSA569.28 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds49
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003402.84
LogP ≤ 550.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[4-[(3,6-Disulfo-1-naphthyl)oxycarbonyl]phenyl]benzoyl]oxynaphthalene-2,7-disulfonic acid
CID 455629
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
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
(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
Bis((2-methyl-4-prop-2-enoylsulfanylphenyl) 4-(2-methylprop-2-enoylsulfanyl)benzoate);bis((3-methyl-4-prop-2-enoylsulfanylphenyl) 4-(2-methylprop-2-enoylsulfanyl)benzoate);(4-prop-2-enoylsulfanylphenyl) 3-methyl-4-(2-methylprop-2-enoylsulfanyl)benzoate;(4-prop-2-enoylsulfanylphenyl) 4-(2-methylprop-2-enoylsulfanyl)-2-(trifluoromethyl)benzoate
CID 159281950
Bis([2-methyl-4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-prop-2-enoylsulfanylbenzoate);[3-methyl-4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-prop-2-enoylsulfanylbenzoate;[4-(2-methylprop-2-enoylsulfanyl)phenyl] 2-methyl-4-prop-2-enoylsulfanylbenzoate;[4-(2-methylprop-2-enoylsulfanyl)phenyl] 3-methyl-4-prop-2-enoylsulfanylbenzoate;[4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-prop-2-enoylsulfanyl-2-(trifluoromethyl)benzoate
CID 159366459
Methane;bis(5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid);2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-4-propan-2-yl-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid
CID 159904161
(1,1-Difluoro-1-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylnaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-prop-1-en-2-ylnaphthalene-1-carboxylate;(4-methoxysulfonylphenyl) 2-methylprop-2-enoate;methyl 2-ethenylbenzenesulfonate;methyl 3-ethenylbenzenesulfonate;methyl 4-ethenylbenzenesulfonate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-prop-1-en-2-ylnaphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-prop-1-en-2-ylnaphthalene-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 5-prop-1-en-2-ylnaphthalene-2-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 7-prop-1-en-2-ylnaphthalene-2-carboxylate
CID 160342461
2-(Naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-4-propan-2-yl-5-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzoic acid;2-[(4-phenoxyphenyl)sulfonylmethyl]-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-[(4-phenoxyphenyl)sulfonylmethyl]-4-propan-2-yl-5-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzoic acid
CID 160848862
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-oxidoperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene
CID 160914017
5-[4-(2-Naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid
CID 161277425

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
The IUPAC name of 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate (CID 159502070) is 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate.
What is the SMILES notation for 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
The canonical SMILES for 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate is CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2c(C(C)C)cc(S(=O)(=O)[O-])cc2C(C)C)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c2)c(C(C)C)c1.CC(C)c1cc(OC(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(OS(=O)(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc(C(C)C)c1S(=O)(=O)[O-].Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.O=S(=O)([O-])c1c(C2CCCCC2)cc(OS(=O)(=O)c2ccc(C3CCCCCCCCCCC3)cc2)cc1C1CCCCC1.
What is the InChIKey of 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
The InChIKey is LZNBCMLDQSAJSF-UHFFFAOYSA-H. The full InChI is InChI=1S/C37H52O5S.2C36H52O6S2.2C27H40O6S2.C26H36O5S/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;1-24(2)31-22-30(23-32(25(3)4)35(31)43(37,38)39)42-44(40,41)36-33(27-16-10-6-11-17-27)20-29(26-14-8-5-9-15-26)21-34(36)28-18-12-7-13-19-28;37-43(38,39)36-34(30-18-12-8-13-19-30)26-32(27-35(36)31-20-14-9-15-21-31)42-44(40,41)33-24-22-29(23-25-33)28-16-10-6-4-2-1-3-5-7-11-17-28;1-15(2)20-11-24(18(7)8)27(25(12-20)19(9)10)35(31,32)33-26-22(16(3)4)13-21(34(28,29)30)14-23(26)17(5)6;1-15(2)20-11-22(16(3)4)27(23(12-20)17(5)6)35(31,32)33-21-13-24(18(7)8)26(34(28,29)30)25(14-21)19(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/h20-28H,5-19H2,1-4H3,(H,39,40,41);20-28H,5-19H2,1-4H3,(H,37,38,39);22-28,30-31H,1-21H2,(H,37,38,39);2*11-19H,1-10H3,(H,28,29,30);10-17H,1-9H3,(H,28,29,30)/p-6.
What are the key properties of 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate?
4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate has a molecular weight of 3402.84 g/mol, XLogP of 50.35, 49 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclohexylbenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate;2,6-di(propan-2-yl)-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;2,6-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;3,5-di(propan-2-yl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate is sourced from PubChem (CID 159502070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).