5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)

C304H324F6O122S38 — CID 158817773

IUPAC5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCCc1cc(C(C)(C)c2ccc(C)c(CCCS(=O)(=O)O)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccccc2)c1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)c(S(=O)(=O)O)c1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3S(=O)(=O)O)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(C)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C)cc3S(=O)(=O)O)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(C)ccc4c3)cc2)cc1S(=O)(=O)O.Cc1ccc(S(C)(=O)=O)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C35H40O7S2.C29H22F6O7S2.C29H28O10S3.2C29H28O7S2.C26H22O7S2.C24H20O7S2.C21H18O4S.C20H18O10S3.3C14H14O6S2.C8H10O2S.12CH4.12O3S/c1-6-8-27-24-29(35(3,4)28-11-10-25(2)26(23-28)9-7-22-43(36,37)38)12-21-34(27)42-31-15-19-33(20-16-31)44(39,40)32-17-13-30(41-5)14-18-32;1-18-3-5-19(6-4-18)27(28(30,31)32,29(33,34)35)20-7-9-21(10-8-20)42-22-11-13-23(14-12-22)43(36,37)24-15-16-25(41-2)26(17-24)44(38,39)40;1-19-5-7-20(8-6-19)29(2,3)21-9-15-26(27(17-21)41(32,33)34)39-22-10-12-23(13-11-22)40(30,31)24-14-16-25(38-4)28(18-24)42(35,36)37;1-20-5-7-21(8-6-20)29(2,3)22-9-18-27(28(19-22)38(32,33)34)36-24-12-16-26(17-13-24)37(30,31)25-14-10-23(35-4)11-15-25;1-20-5-7-21(8-6-20)29(2,3)22-9-11-23(12-10-22)36-24-13-15-25(16-14-24)37(30,31)26-17-18-27(35-4)28(19-26)38(32,33)34;1-18-3-5-19(6-4-18)20-7-9-21(10-8-20)33-22-11-13-23(14-12-22)34(27,28)24-15-16-25(32-2)26(17-24)35(29,30)31;1-16-3-4-18-14-20(6-5-17(18)13-16)31-19-7-9-21(10-8-19)32(25,26)22-11-12-23(30-2)24(15-22)33(27,28)29;1-15-8-11-18(12-9-15)26(23,24)20-13-10-17(25-2)14-19(20)21(22)16-6-4-3-5-7-16;1-13-3-9-18(19(11-13)32(23,24)25)30-14-4-6-15(7-5-14)31(21,22)16-8-10-17(29-2)20(12-16)33(26,27)28;1-10-3-6-12(7-4-10)21(15,16)13-8-5-11(20-2)9-14(13)22(17,18)19;2*1-10-3-5-11(6-4-10)21(15,16)12-7-8-13(20-2)14(9-12)22(17,18)19;1-7-3-5-8(6-4-7)11(2,9)10;;;;;;;;;;;;;12*1-4(2)3/h10-21,23-24H,6-9,22H2,1-5H3,(H,36,37,38);3-17H,1-2H3,(H,38,39,40);5-18H,1-4H3,(H,32,33,34)(H,35,36,37);2*5-19H,1-4H3,(H,32,33,34);3-17H,1-2H3,(H,29,30,31);3-15H,1-2H3,(H,27,28,29);3-14H,1-2H3;3-12H,1-2H3,(H,23,24,25)(H,26,27,28);3*3-9H,1-2H3,(H,17,18,19);3-6H,1-2H3;12*1H4;;;;;;;;;;;;
InChIKeyIVMGDHLDTBBPMB-UHFFFAOYSA-N
MW7262.35 g/mol
LogP53.86
Rot. Bonds84

About 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)

5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide) (PubChem CID 158817773) has the molecular formula C304H324F6O122S38 and a molecular weight of 7262.35 g/mol. Its IUPAC name is 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide).

Molecular Properties

Compound Name5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)
PubChem CID158817773
Molecular FormulaC304H324F6O122S38
Molecular Weight7262.35 g/mol
Exact Mass7254.84
IUPAC Name5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCCc1cc(C(C)(C)c2ccc(C)c(CCCS(=O)(=O)O)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccccc2)c1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)c(S(=O)(=O)O)c1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3S(=O)(=O)O)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(C)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C)cc3S(=O)(=O)O)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(C)ccc4c3)cc2)cc1S(=O)(=O)O.Cc1ccc(S(C)(=O)=O)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C35H40O7S2.C29H22F6O7S2.C29H28O10S3.2C29H28O7S2.C26H22O7S2.C24H20O7S2.C21H18O4S.C20H18O10S3.3C14H14O6S2.C8H10O2S.12CH4.12O3S/c1-6-8-27-24-29(35(3,4)28-11-10-25(2)26(23-28)9-7-22-43(36,37)38)12-21-34(27)42-31-15-19-33(20-16-31)44(39,40)32-17-13-30(41-5)14-18-32;1-18-3-5-19(6-4-18)27(28(30,31)32,29(33,34)35)20-7-9-21(10-8-20)42-22-11-13-23(14-12-22)43(36,37)24-15-16-25(41-2)26(17-24)44(38,39)40;1-19-5-7-20(8-6-19)29(2,3)21-9-15-26(27(17-21)41(32,33)34)39-22-10-12-23(13-11-22)40(30,31)24-14-16-25(38-4)28(18-24)42(35,36)37;1-20-5-7-21(8-6-20)29(2,3)22-9-18-27(28(19-22)38(32,33)34)36-24-12-16-26(17-13-24)37(30,31)25-14-10-23(35-4)11-15-25;1-20-5-7-21(8-6-20)29(2,3)22-9-11-23(12-10-22)36-24-13-15-25(16-14-24)37(30,31)26-17-18-27(35-4)28(19-26)38(32,33)34;1-18-3-5-19(6-4-18)20-7-9-21(10-8-20)33-22-11-13-23(14-12-22)34(27,28)24-15-16-25(32-2)26(17-24)35(29,30)31;1-16-3-4-18-14-20(6-5-17(18)13-16)31-19-7-9-21(10-8-19)32(25,26)22-11-12-23(30-2)24(15-22)33(27,28)29;1-15-8-11-18(12-9-15)26(23,24)20-13-10-17(25-2)14-19(20)21(22)16-6-4-3-5-7-16;1-13-3-9-18(19(11-13)32(23,24)25)30-14-4-6-15(7-5-14)31(21,22)16-8-10-17(29-2)20(12-16)33(26,27)28;1-10-3-6-12(7-4-10)21(15,16)13-8-5-11(20-2)9-14(13)22(17,18)19;2*1-10-3-5-11(6-4-10)21(15,16)12-7-8-13(20-2)14(9-12)22(17,18)19;1-7-3-5-8(6-4-7)11(2,9)10;;;;;;;;;;;;;12*1-4(2)3/h10-21,23-24H,6-9,22H2,1-5H3,(H,36,37,38);3-17H,1-2H3,(H,38,39,40);5-18H,1-4H3,(H,32,33,34)(H,35,36,37);2*5-19H,1-4H3,(H,32,33,34);3-17H,1-2H3,(H,29,30,31);3-15H,1-2H3,(H,27,28,29);3-14H,1-2H3;3-12H,1-2H3,(H,23,24,25)(H,26,27,28);3*3-9H,1-2H3,(H,17,18,19);3-6H,1-2H3;12*1H4;;;;;;;;;;;;
InChIKeyIVMGDHLDTBBPMB-UHFFFAOYSA-N
XLogP53.86
TPSA1966.82 Ų
H-Bond Donors13
H-Bond Acceptors109
Rotatable Bonds84
Heavy Atoms470
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007262.35
LogP ≤ 553.86
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 10109

Analyze 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)?
The IUPAC name of 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide) (CID 158817773) is 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide).
What is the SMILES notation for 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)?
The canonical SMILES for 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide) is C.C.C.C.C.C.C.C.C.C.C.C.CCCc1cc(C(C)(C)c2ccc(C)c(CCCS(=O)(=O)O)c2)ccc1Oc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccccc2)c1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)c(S(=O)(=O)O)c1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3S(=O)(=O)O)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(C)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C)cc3S(=O)(=O)O)cc2)cc1S(=O)(=O)O.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(C)ccc4c3)cc2)cc1S(=O)(=O)O.Cc1ccc(S(C)(=O)=O)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)?
The InChIKey is IVMGDHLDTBBPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O7S2.C29H22F6O7S2.C29H28O10S3.2C29H28O7S2.C26H22O7S2.C24H20O7S2.C21H18O4S.C20H18O10S3.3C14H14O6S2.C8H10O2S.12CH4.12O3S/c1-6-8-27-24-29(35(3,4)28-11-10-25(2)26(23-28)9-7-22-43(36,37)38)12-21-34(27)42-31-15-19-33(20-16-31)44(39,40)32-17-13-30(41-5)14-18-32;1-18-3-5-19(6-4-18)27(28(30,31)32,29(33,34)35)20-7-9-21(10-8-20)42-22-11-13-23(14-12-22)43(36,37)24-15-16-25(41-2)26(17-24)44(38,39)40;1-19-5-7-20(8-6-19)29(2,3)21-9-15-26(27(17-21)41(32,33)34)39-22-10-12-23(13-11-22)40(30,31)24-14-16-25(38-4)28(18-24)42(35,36)37;1-20-5-7-21(8-6-20)29(2,3)22-9-18-27(28(19-22)38(32,33)34)36-24-12-16-26(17-13-24)37(30,31)25-14-10-23(35-4)11-15-25;1-20-5-7-21(8-6-20)29(2,3)22-9-11-23(12-10-22)36-24-13-15-25(16-14-24)37(30,31)26-17-18-27(35-4)28(19-26)38(32,33)34;1-18-3-5-19(6-4-18)20-7-9-21(10-8-20)33-22-11-13-23(14-12-22)34(27,28)24-15-16-25(32-2)26(17-24)35(29,30)31;1-16-3-4-18-14-20(6-5-17(18)13-16)31-19-7-9-21(10-8-19)32(25,26)22-11-12-23(30-2)24(15-22)33(27,28)29;1-15-8-11-18(12-9-15)26(23,24)20-13-10-17(25-2)14-19(20)21(22)16-6-4-3-5-7-16;1-13-3-9-18(19(11-13)32(23,24)25)30-14-4-6-15(7-5-14)31(21,22)16-8-10-17(29-2)20(12-16)33(26,27)28;1-10-3-6-12(7-4-10)21(15,16)13-8-5-11(20-2)9-14(13)22(17,18)19;2*1-10-3-5-11(6-4-10)21(15,16)12-7-8-13(20-2)14(9-12)22(17,18)19;1-7-3-5-8(6-4-7)11(2,9)10;;;;;;;;;;;;;12*1-4(2)3/h10-21,23-24H,6-9,22H2,1-5H3,(H,36,37,38);3-17H,1-2H3,(H,38,39,40);5-18H,1-4H3,(H,32,33,34)(H,35,36,37);2*5-19H,1-4H3,(H,32,33,34);3-17H,1-2H3,(H,29,30,31);3-15H,1-2H3,(H,27,28,29);3-14H,1-2H3;3-12H,1-2H3,(H,23,24,25)(H,26,27,28);3*3-9H,1-2H3,(H,17,18,19);3-6H,1-2H3;12*1H4;;;;;;;;;;;;.
What are the key properties of 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide)?
5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide) has a molecular weight of 7262.35 g/mol, XLogP of 53.86, 84 rotatable bonds, 13 hydrogen bond donors, and 109 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methoxybenzenesulfonic acid;methane;2-methoxy-5-[4-(6-methylnaphthalen-2-yl)oxyphenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid;2-methoxy-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzenesulfonic acid;bis(2-methoxy-5-(4-methylphenyl)sulfonylbenzenesulfonic acid);5-methoxy-2-(4-methylphenyl)sulfonylbenzenesulfonic acid;[5-methoxy-2-(4-methylphenyl)sulfonylphenyl]-phenylmethanone;2-[4-(4-methoxyphenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;3-[5-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-propylphenyl]propan-2-yl]-2-methylphenyl]propane-1-sulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-methylbenzenesulfonic acid;2-[4-(4-methoxy-3-sulfophenyl)sulfonylphenoxy]-5-[2-(4-methylphenyl)propan-2-yl]benzenesulfonic acid;1-methyl-4-methylsulfonylbenzene;dodecakis(sulfur trioxide) is sourced from PubChem (CID 158817773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).