5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid

C304H232O66S18 — CID 161384196

IUPAC5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4cc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)ccc4c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C53H40O10S2.C51H40O12S4.2C51H38O10S2.2C49H38O12S4/c1-34-3-9-40(10-4-34)52(54)42-17-25-46(26-18-42)60-44-21-13-38(14-22-44)39-15-23-45(24-16-39)61-47-27-19-43(20-28-47)53(55)41-11-6-36(7-12-41)32-37-8-30-49(51(33-37)65(57,58)59)48-29-5-35(2)31-50(48)64-63-62-56;1-34-3-21-44(22-4-34)65(53,54)46-25-17-42(18-26-46)60-40-13-9-38(10-14-40)39-11-15-41(16-12-39)61-43-19-27-47(28-20-43)66(55,56)45-23-6-36(7-24-45)32-37-8-30-49(51(33-37)67(57,58)59)48-29-5-35(2)31-50(48)64-63-62-52;1-32-3-9-37(10-4-32)50(52)39-15-19-42(20-16-39)58-44-23-13-36-14-24-45(31-41(36)30-44)59-43-21-17-40(18-22-43)51(53)38-11-6-34(7-12-38)28-35-8-26-47(49(29-35)63(55,56)57)46-25-5-33(2)27-48(46)62-61-60-54;1-32-3-9-36(10-4-32)50(52)38-13-19-42(20-14-38)58-44-23-17-41-31-45(24-18-40(41)30-44)59-43-21-15-39(16-22-43)51(53)37-11-6-34(7-12-37)28-35-8-26-47(49(29-35)63(55,56)57)46-25-5-33(2)27-48(46)62-61-60-54;1-32-3-17-42(18-4-32)63(51,52)44-21-13-38(14-22-44)58-40-11-9-37-31-41(12-10-36(37)30-40)59-39-15-23-45(24-16-39)64(53,54)43-19-6-34(7-20-43)28-35-8-26-47(49(29-35)65(55,56)57)46-25-5-33(2)27-48(46)62-61-60-50;1-32-3-17-42(18-4-32)63(51,52)44-21-13-38(14-22-44)58-40-11-9-36-10-12-41(31-37(36)30-40)59-39-15-23-45(24-16-39)64(53,54)43-19-6-34(7-20-43)28-35-8-26-47(49(29-35)65(55,56)57)46-25-5-33(2)27-48(46)62-61-60-50/h3-31,33,56H,32H2,1-2H3,(H,57,58,59);3-31,33,52H,32H2,1-2H3,(H,57,58,59);2*3-27,29-31,54H,28H2,1-2H3,(H,55,56,57);2*3-27,29-31,50H,28H2,1-2H3,(H,55,56,57)
InChIKeyVSCSEWUXVDKGPF-UHFFFAOYSA-N
MW5518.34 g/mol
LogP73.25
Rot. Bonds92

About 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid

5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid (PubChem CID 161384196) has the molecular formula C304H232O66S18 and a molecular weight of 5518.34 g/mol. Its IUPAC name is 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid.

Molecular Properties

Compound Name5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
PubChem CID161384196
Molecular FormulaC304H232O66S18
Molecular Weight5518.34 g/mol
Exact Mass5512.98
IUPAC Name5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
SMILESCc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4cc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)ccc4c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C53H40O10S2.C51H40O12S4.2C51H38O10S2.2C49H38O12S4/c1-34-3-9-40(10-4-34)52(54)42-17-25-46(26-18-42)60-44-21-13-38(14-22-44)39-15-23-45(24-16-39)61-47-27-19-43(20-28-47)53(55)41-11-6-36(7-12-41)32-37-8-30-49(51(33-37)65(57,58)59)48-29-5-35(2)31-50(48)64-63-62-56;1-34-3-21-44(22-4-34)65(53,54)46-25-17-42(18-26-46)60-40-13-9-38(10-14-40)39-11-15-41(16-12-39)61-43-19-27-47(28-20-43)66(55,56)45-23-6-36(7-24-45)32-37-8-30-49(51(33-37)67(57,58)59)48-29-5-35(2)31-50(48)64-63-62-52;1-32-3-9-37(10-4-32)50(52)39-15-19-42(20-16-39)58-44-23-13-36-14-24-45(31-41(36)30-44)59-43-21-17-40(18-22-43)51(53)38-11-6-34(7-12-38)28-35-8-26-47(49(29-35)63(55,56)57)46-25-5-33(2)27-48(46)62-61-60-54;1-32-3-9-36(10-4-32)50(52)38-13-19-42(20-14-38)58-44-23-17-41-31-45(24-18-40(41)30-44)59-43-21-15-39(16-22-43)51(53)37-11-6-34(7-12-37)28-35-8-26-47(49(29-35)63(55,56)57)46-25-5-33(2)27-48(46)62-61-60-54;1-32-3-17-42(18-4-32)63(51,52)44-21-13-38(14-22-44)58-40-11-9-37-31-41(12-10-36(37)30-40)59-39-15-23-45(24-16-39)64(53,54)43-19-6-34(7-20-43)28-35-8-26-47(49(29-35)65(55,56)57)46-25-5-33(2)27-48(46)62-61-60-50;1-32-3-17-42(18-4-32)63(51,52)44-21-13-38(14-22-44)58-40-11-9-36-10-12-41(31-37(36)30-40)59-39-15-23-45(24-16-39)64(53,54)43-19-6-34(7-20-43)28-35-8-26-47(49(29-35)65(55,56)57)46-25-5-33(2)27-48(46)62-61-60-50/h3-31,33,56H,32H2,1-2H3,(H,57,58,59);3-31,33,52H,32H2,1-2H3,(H,57,58,59);2*3-27,29-31,54H,28H2,1-2H3,(H,55,56,57);2*3-27,29-31,50H,28H2,1-2H3,(H,55,56,57)
InChIKeyVSCSEWUXVDKGPF-UHFFFAOYSA-N
XLogP73.25
TPSA976.38 Ų
H-Bond Donors12
H-Bond Acceptors66
Rotatable Bonds92
Heavy Atoms388
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005518.34
LogP ≤ 573.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1066

Analyze 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
The IUPAC name of 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid (CID 161384196) is 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid.
What is the SMILES notation for 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
The canonical SMILES for 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid is Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4cc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)ccc4c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(Oc3ccc4ccc(Oc5ccc(C(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8SOOO)c(S(=O)(=O)O)c7)cc6)cc5)cc4c3)cc2)cc1.
What is the InChIKey of 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
The InChIKey is VSCSEWUXVDKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40O10S2.C51H40O12S4.2C51H38O10S2.2C49H38O12S4/c1-34-3-9-40(10-4-34)52(54)42-17-25-46(26-18-42)60-44-21-13-38(14-22-44)39-15-23-45(24-16-39)61-47-27-19-43(20-28-47)53(55)41-11-6-36(7-12-41)32-37-8-30-49(51(33-37)65(57,58)59)48-29-5-35(2)31-50(48)64-63-62-56;1-34-3-21-44(22-4-34)65(53,54)46-25-17-42(18-26-46)60-40-13-9-38(10-14-40)39-11-15-41(16-12-39)61-43-19-27-47(28-20-43)66(55,56)45-23-6-36(7-24-45)32-37-8-30-49(51(33-37)67(57,58)59)48-29-5-35(2)31-50(48)64-63-62-52;1-32-3-9-37(10-4-32)50(52)39-15-19-42(20-16-39)58-44-23-13-36-14-24-45(31-41(36)30-44)59-43-21-17-40(18-22-43)51(53)38-11-6-34(7-12-38)28-35-8-26-47(49(29-35)63(55,56)57)46-25-5-33(2)27-48(46)62-61-60-54;1-32-3-9-36(10-4-32)50(52)38-13-19-42(20-14-38)58-44-23-17-41-31-45(24-18-40(41)30-44)59-43-21-15-39(16-22-43)51(53)37-11-6-34(7-12-37)28-35-8-26-47(49(29-35)63(55,56)57)46-25-5-33(2)27-48(46)62-61-60-54;1-32-3-17-42(18-4-32)63(51,52)44-21-13-38(14-22-44)58-40-11-9-37-31-41(12-10-36(37)30-40)59-39-15-23-45(24-16-39)64(53,54)43-19-6-34(7-20-43)28-35-8-26-47(49(29-35)65(55,56)57)46-25-5-33(2)27-48(46)62-61-60-50;1-32-3-17-42(18-4-32)63(51,52)44-21-13-38(14-22-44)58-40-11-9-36-10-12-41(31-37(36)30-40)59-39-15-23-45(24-16-39)64(53,54)43-19-6-34(7-20-43)28-35-8-26-47(49(29-35)65(55,56)57)46-25-5-33(2)27-48(46)62-61-60-50/h3-31,33,56H,32H2,1-2H3,(H,57,58,59);3-31,33,52H,32H2,1-2H3,(H,57,58,59);2*3-27,29-31,54H,28H2,1-2H3,(H,55,56,57);2*3-27,29-31,50H,28H2,1-2H3,(H,55,56,57).
What are the key properties of 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid?
5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid has a molecular weight of 5518.34 g/mol, XLogP of 73.25, 92 rotatable bonds, 12 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxybenzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]benzoyl]phenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[7-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxyphenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid;5-[[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid is sourced from PubChem (CID 161384196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).