[4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid

C216H168O48S8 — CID 158772417

IUPAC[4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Cc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(Cc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H44O18S4.C55H44O6.C53H40O18S4.C53H40O6/c1-33-5-6-36(29-49(33)74-72-70-58)53(56)38-12-27-47(51(31-38)76(60,61)62)68-44-20-9-35(10-21-44)34-7-18-43(19-8-34)67-46-26-11-37(30-50(46)75-73-71-59)54(57)39-13-28-48(52(32-39)77(63,64)65)69-45-24-16-41(17-25-45)55(2,3)40-14-22-42(66-4)23-15-40;1-37-5-7-40(8-6-37)53(56)41-13-27-49(28-14-41)59-47-23-9-38(10-24-47)39-11-25-48(26-12-39)60-50-29-15-42(16-30-50)54(57)43-17-31-51(32-18-43)61-52-35-21-45(22-36-52)55(2,3)44-19-33-46(58-4)34-20-44;1-32-3-8-37(28-48(32)72-70-68-56)52(54)39-14-26-47(51(30-39)75(61,62)63)67-44-22-11-36(12-23-44)35-9-20-43(21-10-35)65-45-24-13-38(29-49(45)73-71-69-57)53(55)40-15-25-46(50(31-40)74(58,59)60)66-42-18-6-34(7-19-42)27-33-4-16-41(64-2)17-5-33;1-36-3-9-41(10-4-36)52(54)42-15-31-50(32-16-42)58-47-25-11-39(12-26-47)40-13-27-48(28-14-40)59-51-33-19-44(20-34-51)53(55)43-17-29-49(30-18-43)57-46-23-7-38(8-24-46)35-37-5-21-45(56-2)22-6-37/h5-32,58-59H,1-4H3,(H,60,61,62)(H,63,64,65);5-36H,1-4H3;3-26,28-31,56-57H,27H2,1-2H3,(H,58,59,60)(H,61,62,63);3-34H,35H2,1-2H3
InChIKeyIQARYHRJCNPRNO-UHFFFAOYSA-N
MW3788.21 g/mol
LogP52.57
Rot. Bonds72

About [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid

[4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid (PubChem CID 158772417) has the molecular formula C216H168O48S8 and a molecular weight of 3788.21 g/mol. Its IUPAC name is [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid.

Molecular Properties

Compound Name[4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
PubChem CID158772417
Molecular FormulaC216H168O48S8
Molecular Weight3788.21 g/mol
Exact Mass3784.85
IUPAC Name[4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Cc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(Cc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H44O18S4.C55H44O6.C53H40O18S4.C53H40O6/c1-33-5-6-36(29-49(33)74-72-70-58)53(56)38-12-27-47(51(31-38)76(60,61)62)68-44-20-9-35(10-21-44)34-7-18-43(19-8-34)67-46-26-11-37(30-50(46)75-73-71-59)54(57)39-13-28-48(52(32-39)77(63,64)65)69-45-24-16-41(17-25-45)55(2,3)40-14-22-42(66-4)23-15-40;1-37-5-7-40(8-6-37)53(56)41-13-27-49(28-14-41)59-47-23-9-38(10-24-47)39-11-25-48(26-12-39)60-50-29-15-42(16-30-50)54(57)43-17-31-51(32-18-43)61-52-35-21-45(22-36-52)55(2,3)44-19-33-46(58-4)34-20-44;1-32-3-8-37(28-48(32)72-70-68-56)52(54)39-14-26-47(51(30-39)75(61,62)63)67-44-22-11-36(12-23-44)35-9-20-43(21-10-35)65-45-24-13-38(29-49(45)73-71-69-57)53(55)40-15-25-46(50(31-40)74(58,59)60)66-42-18-6-34(7-19-42)27-33-4-16-41(64-2)17-5-33;1-36-3-9-41(10-4-36)52(54)42-15-31-50(32-16-42)58-47-25-11-39(12-26-47)40-13-27-48(28-14-40)59-51-33-19-44(20-34-51)53(55)43-17-29-49(30-18-43)57-46-23-7-38(8-24-46)35-37-5-21-45(56-2)22-6-37/h5-32,58-59H,1-4H3,(H,60,61,62)(H,63,64,65);5-36H,1-4H3;3-26,28-31,56-57H,27H2,1-2H3,(H,58,59,60)(H,61,62,63);3-34H,35H2,1-2H3
InChIKeyIQARYHRJCNPRNO-UHFFFAOYSA-N
XLogP52.57
TPSA656.48 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds72
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003788.21
LogP ≤ 552.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid with MolForge

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Related Compounds

5-[4-[4-[2-[4-[[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenyl]methoxy]phenyl]propan-2-yl]phenoxy]-3-(trioxidanylsulfanyl)benzoyl]-2-methylbenzenesulfonic acid
CID 58944108
2-[4-(4-methoxyphenoxy)phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
CID 59022186
2-[4-(4-methoxyphenyl)phenoxy]-5-[4-[[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]methyl]-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
CID 58835478
1-(4-methoxyphenoxy)-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenoxy)phenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid;1-(4-methoxyphenyl)sulfanyl-4-[4-[[4-[4-[4-[4-[(4-methylphenyl)methyl]phenyl]sulfanylphenyl]phenyl]sulfanylphenyl]methyl]phenoxy]benzene;2-[4-(4-methoxyphenyl)sulfanylphenoxy]-5-[[4-[4-[4-[4-[[4-methyl-3-(trioxidanylsulfanyl)phenyl]methyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)phenyl]methyl]benzenesulfonic acid
CID 161100237
1-[4-[4-[2-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]-3-(trioxidanylsulfanyl)phenyl]ethanone
CID 58750887
2-[4-[[4-(4-methoxybenzoyl)phenyl]methoxy]-2-(trioxidanylsulfanyl)phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 58013337
5-[4-[4-[2-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]-2-methylbenzenesulfonic acid;sulfur trioxide
CID 157467516
methanesulfonic acid;2-[4-(4-methoxyphenoxy)phenoxy]-5-[4-[[4-(4-methylbenzoyl)phenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 90704916
2-[4-[4-[2-cyano-3-[4-(4-methoxyphenoxy)phenoxy]phenyl]sulfanylphenyl]phenyl]sulfanyl-6-methylbenzonitrile;2-[4-[4-[2-cyano-3-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]phenyl]sulfanyl-6-methylbenzonitrile;2-[4-(4-methoxyphenoxy)phenoxy]-5-[4-[4-[4-[4-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]-2-sulfophenyl]sulfanylphenyl]phenyl]sulfanyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;2-[4-[4-[4-[4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanyl-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenyl]sulfanylphenyl]phenyl]sulfanyl-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid
CID 159980433
2-[4-(4-methoxybenzoyl)phenoxy]-5-[4-[[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;2-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-5-[4-[[4-[4-(4-methylbenzoyl)phenoxy]phenoxy]methyl]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid;4-[2-methoxy-3-(4-sulfophenyl)-5-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]methyl]phenyl]benzenesulfonic acid
CID 90903653
2-[4-[4-[4-[4-[4-[2-[4-[4-[4-[4-[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]phenoxy]-3-sulfobenzoyl]phenoxy]phenyl]-1,3-dioxolan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]-5-[4-[4-[2-(4-methylphenyl)-1,3-dioxolan-2-yl]phenoxy]benzoyl]benzenesulfonic acid
CID 58030623
3-methoxy-6-[4-[4-[[6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalen-2-yl]oxymethyl]-3-(trioxidanylsulfanyl)benzoyl]-2-sulfophenoxy]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 59022199

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid?
The IUPAC name of [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid (CID 158772417) is [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid.
What is the SMILES notation for [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid?
The canonical SMILES for [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid is COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(Cc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)c(SOOO)c8)cc7S(=O)(=O)O)cc6)cc5)c(SOOO)c4)cc3S(=O)(=O)O)cc2)cc1.COc1ccc(Cc2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc(C(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid?
The InChIKey is IQARYHRJCNPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44O18S4.C55H44O6.C53H40O18S4.C53H40O6/c1-33-5-6-36(29-49(33)74-72-70-58)53(56)38-12-27-47(51(31-38)76(60,61)62)68-44-20-9-35(10-21-44)34-7-18-43(19-8-34)67-46-26-11-37(30-50(46)75-73-71-59)54(57)39-13-28-48(52(32-39)77(63,64)65)69-45-24-16-41(17-25-45)55(2,3)40-14-22-42(66-4)23-15-40;1-37-5-7-40(8-6-37)53(56)41-13-27-49(28-14-41)59-47-23-9-38(10-24-47)39-11-25-48(26-12-39)60-50-29-15-42(16-30-50)54(57)43-17-31-51(32-18-43)61-52-35-21-45(22-36-52)55(2,3)44-19-33-46(58-4)34-20-44;1-32-3-8-37(28-48(32)72-70-68-56)52(54)39-14-26-47(51(30-39)75(61,62)63)67-44-22-11-36(12-23-44)35-9-20-43(21-10-35)65-45-24-13-38(29-49(45)73-71-69-57)53(55)40-15-25-46(50(31-40)74(58,59)60)66-42-18-6-34(7-19-42)27-33-4-16-41(64-2)17-5-33;1-36-3-9-41(10-4-36)52(54)42-15-31-50(32-16-42)58-47-25-11-39(12-26-47)40-13-27-48(28-14-40)59-51-33-19-44(20-34-51)53(55)43-17-29-49(30-18-43)57-46-23-7-38(8-24-46)35-37-5-21-45(56-2)22-6-37/h5-32,58-59H,1-4H3,(H,60,61,62)(H,63,64,65);5-36H,1-4H3;3-26,28-31,56-57H,27H2,1-2H3,(H,58,59,60)(H,61,62,63);3-34H,35H2,1-2H3.
What are the key properties of [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid?
[4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid has a molecular weight of 3788.21 g/mol, XLogP of 52.57, 72 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid;[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;2-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfobenzoyl]-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)benzoyl]benzenesulfonic acid is sourced from PubChem (CID 158772417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).