[4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine

C360H314F6I2O57S15 — CID 160628297

IUPAC[4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine
SMILESCOc1ccc(-c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)Oc4ccc(-c5ccc(S(=O)Oc6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)Oc4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(-c4ccc(S(=O)Oc5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(C)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(C)cc2)cc1.COc1ccc(S(=O)Oc2ccc(Oc3ccc(C(C)(C)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(Oc3ccc(Oc4ccc(Oc5ccc(C)cc5)cc4)cc3)cc2)cc1.II
InChIInChI=1S/C44H42O4S.C41H36O6S2.C41H36O5S.C32H26O6S2.C32H26O6S.C29H22F6O4S.C29H28O4S.C26H22O6S2.C26H22O5S.C26H22O4S.C20H18O4S.C14H14O3S.I2/c1-31-7-13-34(14-8-31)43(2,3)35-15-9-32(10-16-35)33-11-17-36(18-12-33)44(4,5)37-19-21-39(22-20-37)47-40-23-25-41(26-24-40)48-49(45)42-29-27-38(46-6)28-30-42;1-29-5-15-37(16-6-29)46-48(42)39-25-9-31(10-26-39)30-7-17-38(18-8-30)47-49(43)40-27-23-36(24-28-40)45-35-21-13-33(14-22-35)41(2,3)32-11-19-34(44-4)20-12-32;1-29-5-11-32(12-6-29)41(2,3)33-13-7-30(8-14-33)31-9-15-39(16-10-31)46-47(42)40-27-25-38(26-28-40)45-37-23-21-36(22-24-37)44-35-19-17-34(43-4)18-20-35;1-23-3-9-29(10-4-23)37-39(33)31-19-7-25(8-20-31)24-5-11-30(12-6-24)38-40(34)32-21-17-28(18-22-32)36-27-15-13-26(35-2)14-16-27;1-23-3-5-25(6-4-23)35-26-7-9-27(10-8-26)36-28-11-13-29(14-12-28)37-30-15-17-31(18-16-30)38-39(33)32-21-19-24(34-2)20-22-32;1-19-3-9-25(10-4-19)39-40(36)26-17-15-24(16-18-26)38-23-13-7-21(8-14-23)27(28(30,31)32,29(33,34)35)20-5-11-22(37-2)12-6-20;1-21-5-11-27(12-6-21)33-34(30)28-19-17-26(18-20-28)32-25-15-9-23(10-16-25)29(2,3)22-7-13-24(31-4)14-8-22;1-19-3-5-23(6-4-19)31-34(28)26-17-13-24(14-18-26)32-33(27)25-15-11-22(12-16-25)30-21-9-7-20(29-2)8-10-21;1-19-3-5-25(6-4-19)31-32(27)26-17-15-24(16-18-26)30-23-13-11-22(12-14-23)29-21-9-7-20(28-2)8-10-21;1-19-3-9-25(10-4-19)30-31(27)26-17-15-24(16-18-26)29-23-13-7-21(8-14-23)20-5-11-22(28-2)12-6-20;1-15-3-5-19(6-4-15)24-25(21)20-13-11-18(12-14-20)23-17-9-7-16(22-2)8-10-17;1-11-3-5-13(6-4-11)17-18(15)14-9-7-12(16-2)8-10-14;1-2/h7-30H,1-6H3;5-28H,1-4H3;5-28H,1-4H3;3-22H,1-2H3;3-22H,1-2H3;3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;
InChIKeyRHPBDFCTJYJEHJ-UHFFFAOYSA-N
MW6401.22 g/mol
LogP92.60
Rot. Bonds104

About [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine

[4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine (PubChem CID 160628297) has the molecular formula C360H314F6I2O57S15 and a molecular weight of 6401.22 g/mol. Its IUPAC name is [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine.

Molecular Properties

Compound Name[4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine
PubChem CID160628297
Molecular FormulaC360H314F6I2O57S15
Molecular Weight6401.22 g/mol
Exact Mass6395.55
IUPAC Name[4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine
SMILESCOc1ccc(-c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)Oc4ccc(-c5ccc(S(=O)Oc6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)Oc4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(-c4ccc(S(=O)Oc5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(C)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(C)cc2)cc1.COc1ccc(S(=O)Oc2ccc(Oc3ccc(C(C)(C)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(Oc3ccc(Oc4ccc(Oc5ccc(C)cc5)cc4)cc3)cc2)cc1.II
InChIInChI=1S/C44H42O4S.C41H36O6S2.C41H36O5S.C32H26O6S2.C32H26O6S.C29H22F6O4S.C29H28O4S.C26H22O6S2.C26H22O5S.C26H22O4S.C20H18O4S.C14H14O3S.I2/c1-31-7-13-34(14-8-31)43(2,3)35-15-9-32(10-16-35)33-11-17-36(18-12-33)44(4,5)37-19-21-39(22-20-37)47-40-23-25-41(26-24-40)48-49(45)42-29-27-38(46-6)28-30-42;1-29-5-15-37(16-6-29)46-48(42)39-25-9-31(10-26-39)30-7-17-38(18-8-30)47-49(43)40-27-23-36(24-28-40)45-35-21-13-33(14-22-35)41(2,3)32-11-19-34(44-4)20-12-32;1-29-5-11-32(12-6-29)41(2,3)33-13-7-30(8-14-33)31-9-15-39(16-10-31)46-47(42)40-27-25-38(26-28-40)45-37-23-21-36(22-24-37)44-35-19-17-34(43-4)18-20-35;1-23-3-9-29(10-4-23)37-39(33)31-19-7-25(8-20-31)24-5-11-30(12-6-24)38-40(34)32-21-17-28(18-22-32)36-27-15-13-26(35-2)14-16-27;1-23-3-5-25(6-4-23)35-26-7-9-27(10-8-26)36-28-11-13-29(14-12-28)37-30-15-17-31(18-16-30)38-39(33)32-21-19-24(34-2)20-22-32;1-19-3-9-25(10-4-19)39-40(36)26-17-15-24(16-18-26)38-23-13-7-21(8-14-23)27(28(30,31)32,29(33,34)35)20-5-11-22(37-2)12-6-20;1-21-5-11-27(12-6-21)33-34(30)28-19-17-26(18-20-28)32-25-15-9-23(10-16-25)29(2,3)22-7-13-24(31-4)14-8-22;1-19-3-5-23(6-4-19)31-34(28)26-17-13-24(14-18-26)32-33(27)25-15-11-22(12-16-25)30-21-9-7-20(29-2)8-10-21;1-19-3-5-25(6-4-19)31-32(27)26-17-15-24(16-18-26)30-23-13-11-22(12-14-23)29-21-9-7-20(28-2)8-10-21;1-19-3-9-25(10-4-19)30-31(27)26-17-15-24(16-18-26)29-23-13-7-21(8-14-23)20-5-11-22(28-2)12-6-20;1-15-3-5-19(6-4-15)24-25(21)20-13-11-18(12-14-20)23-17-9-7-16(22-2)8-10-17;1-11-3-5-13(6-4-11)17-18(15)14-9-7-12(16-2)8-10-14;1-2/h7-30H,1-6H3;5-28H,1-4H3;5-28H,1-4H3;3-22H,1-2H3;3-22H,1-2H3;3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;
InChIKeyRHPBDFCTJYJEHJ-UHFFFAOYSA-N
XLogP92.60
TPSA643.71 Ų
H-Bond Donors
H-Bond Acceptors57
Rotatable Bonds104
Heavy Atoms440
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006401.22
LogP ≤ 592.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1057

Analyze [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine?
The IUPAC name of [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine (CID 160628297) is [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine.
What is the SMILES notation for [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine?
The canonical SMILES for [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine is COc1ccc(-c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)Oc4ccc(-c5ccc(S(=O)Oc6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)Oc4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(-c4ccc(S(=O)Oc5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(C)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)Oc3ccc(S(=O)Oc4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(C)cc2)cc1.COc1ccc(S(=O)Oc2ccc(Oc3ccc(C(C)(C)c4ccc(-c5ccc(C(C)(C)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(Oc3ccc(Oc4ccc(Oc5ccc(C)cc5)cc4)cc3)cc2)cc1.II.
What is the InChIKey of [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine?
The InChIKey is RHPBDFCTJYJEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O4S.C41H36O6S2.C41H36O5S.C32H26O6S2.C32H26O6S.C29H22F6O4S.C29H28O4S.C26H22O6S2.C26H22O5S.C26H22O4S.C20H18O4S.C14H14O3S.I2/c1-31-7-13-34(14-8-31)43(2,3)35-15-9-32(10-16-35)33-11-17-36(18-12-33)44(4,5)37-19-21-39(22-20-37)47-40-23-25-41(26-24-40)48-49(45)42-29-27-38(46-6)28-30-42;1-29-5-15-37(16-6-29)46-48(42)39-25-9-31(10-26-39)30-7-17-38(18-8-30)47-49(43)40-27-23-36(24-28-40)45-35-21-13-33(14-22-35)41(2,3)32-11-19-34(44-4)20-12-32;1-29-5-11-32(12-6-29)41(2,3)33-13-7-30(8-14-33)31-9-15-39(16-10-31)46-47(42)40-27-25-38(26-28-40)45-37-23-21-36(22-24-37)44-35-19-17-34(43-4)18-20-35;1-23-3-9-29(10-4-23)37-39(33)31-19-7-25(8-20-31)24-5-11-30(12-6-24)38-40(34)32-21-17-28(18-22-32)36-27-15-13-26(35-2)14-16-27;1-23-3-5-25(6-4-23)35-26-7-9-27(10-8-26)36-28-11-13-29(14-12-28)37-30-15-17-31(18-16-30)38-39(33)32-21-19-24(34-2)20-22-32;1-19-3-9-25(10-4-19)39-40(36)26-17-15-24(16-18-26)38-23-13-7-21(8-14-23)27(28(30,31)32,29(33,34)35)20-5-11-22(37-2)12-6-20;1-21-5-11-27(12-6-21)33-34(30)28-19-17-26(18-20-28)32-25-15-9-23(10-16-25)29(2,3)22-7-13-24(31-4)14-8-22;1-19-3-5-23(6-4-19)31-34(28)26-17-13-24(14-18-26)32-33(27)25-15-11-22(12-16-25)30-21-9-7-20(29-2)8-10-21;1-19-3-5-25(6-4-19)31-32(27)26-17-15-24(16-18-26)30-23-13-11-22(12-14-23)29-21-9-7-20(28-2)8-10-21;1-19-3-9-25(10-4-19)30-31(27)26-17-15-24(16-18-26)29-23-13-7-21(8-14-23)20-5-11-22(28-2)12-6-20;1-15-3-5-19(6-4-15)24-25(21)20-13-11-18(12-14-20)23-17-9-7-16(22-2)8-10-17;1-11-3-5-13(6-4-11)17-18(15)14-9-7-12(16-2)8-10-14;1-2/h7-30H,1-6H3;5-28H,1-4H3;5-28H,1-4H3;3-22H,1-2H3;3-22H,1-2H3;3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;3-18H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;.
What are the key properties of [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine?
[4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine has a molecular weight of 6401.22 g/mol, XLogP of 92.60, 104 rotatable bonds, 0 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]phenyl] 4-methoxybenzenesulfinate;[4-(4-methylphenoxy)sulfinylphenyl] 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-methoxybenzenesulfinate;(4-methylphenyl) 4-(4-methoxyphenoxy)benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-(4-methoxyphenoxy)phenyl]sulfinyloxyphenyl]benzenesulfinate;(4-methylphenyl) 4-[4-(4-methoxyphenyl)phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate;(4-methylphenyl) 4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfinyloxyphenyl]benzenesulfinate;[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl] 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate;[4-[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]propan-2-yl]phenoxy]phenyl] 4-methoxybenzenesulfinate;molecular iodine is sourced from PubChem (CID 160628297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).