ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide

C296H363Br7N14O55 — CID 158041600

IUPACethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide
SMILESC=CC(=O)OCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CCOCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=Cn1cc[n+](CCOc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OCCCCCCCCCCCCOC(=O)C(=C)C)cc4)c(C)c3C)cc2)c1.CC.CC.CC.CC.CC.CC.CC.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/C45H55N2O8.C44H53N2O8.C44H55N2O7.C40H45N2O8.C38H41N2O8.C36H37N2O8.C35H35N2O8.7C2H6.7BrH/c1-6-46-27-28-47(33-46)29-32-52-40-23-19-38(20-24-40)45(50)55-42-26-25-41(35(4)36(42)5)54-44(49)37-17-21-39(22-18-37)51-30-15-13-11-9-7-8-10-12-14-16-31-53-43(48)34(2)3;1-5-42(47)52-31-16-14-12-10-8-7-9-11-13-15-30-50-38-21-17-36(18-22-38)43(48)53-40-25-26-41(35(4)34(40)3)54-44(49)37-19-23-39(24-20-37)51-32-29-46-28-27-45(6-2)33-46;1-5-30-49-31-15-13-11-9-7-8-10-12-14-16-32-50-39-21-17-37(18-22-39)43(47)52-41-25-26-42(36(4)35(41)3)53-44(48)38-19-23-40(24-20-38)51-33-29-46-28-27-45(6-2)34-46;1-5-38(43)48-27-12-10-8-7-9-11-26-46-34-17-13-32(14-18-34)39(44)49-36-21-22-37(31(4)30(36)3)50-40(45)33-15-19-35(20-16-33)47-28-25-42-24-23-41(6-2)29-42;1-5-36(41)46-25-10-8-7-9-24-44-32-15-11-30(12-16-32)37(42)47-34-19-20-35(29(4)28(34)3)48-38(43)31-13-17-33(18-14-31)45-26-23-40-22-21-39(6-2)27-40;1-5-34(39)44-23-8-7-22-42-30-13-9-28(10-14-30)35(40)45-32-17-18-33(27(4)26(32)3)46-36(41)29-11-15-31(16-12-29)43-24-21-38-20-19-37(6-2)25-38;1-5-33(38)43-22-7-21-41-29-12-8-27(9-13-29)34(39)44-31-16-17-32(26(4)25(31)3)45-35(40)28-10-14-30(15-11-28)42-23-20-37-19-18-36(6-2)24-37;7*1-2;;;;;;;/h6,17-28,33H,1-2,7-16,29-32H2,3-5H3;5-6,17-28,33H,1-2,7-16,29-32H2,3-4H3;5-6,17-28,34H,1-2,7-16,29-33H2,3-4H3;5-6,13-24,29H,1-2,7-12,25-28H2,3-4H3;5-6,11-22,27H,1-2,7-10,23-26H2,3-4H3;5-6,9-20,25H,1-2,7-8,21-24H2,3-4H3;5-6,8-19,24H,1-2,7,20-23H2,3-4H3;7*1-2H3;7*1H/q7*+1;;;;;;;;;;;;;;/p-7
InChIKeyBLXWHWMCIYDWNM-UHFFFAOYSA-G
MW5556.53 g/mol
LogP39.68
Rot. Bonds142

About ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide

ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide (PubChem CID 158041600) has the molecular formula C296H363Br7N14O55 and a molecular weight of 5556.53 g/mol. Its IUPAC name is ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide.

Molecular Properties

Compound Nameethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide
PubChem CID158041600
Molecular FormulaC296H363Br7N14O55
Molecular Weight5556.53 g/mol
Exact Mass5546.03
IUPAC Nameethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide
SMILESC=CC(=O)OCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CCOCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=Cn1cc[n+](CCOc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OCCCCCCCCCCCCOC(=O)C(=C)C)cc4)c(C)c3C)cc2)c1.CC.CC.CC.CC.CC.CC.CC.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/C45H55N2O8.C44H53N2O8.C44H55N2O7.C40H45N2O8.C38H41N2O8.C36H37N2O8.C35H35N2O8.7C2H6.7BrH/c1-6-46-27-28-47(33-46)29-32-52-40-23-19-38(20-24-40)45(50)55-42-26-25-41(35(4)36(42)5)54-44(49)37-17-21-39(22-18-37)51-30-15-13-11-9-7-8-10-12-14-16-31-53-43(48)34(2)3;1-5-42(47)52-31-16-14-12-10-8-7-9-11-13-15-30-50-38-21-17-36(18-22-38)43(48)53-40-25-26-41(35(4)34(40)3)54-44(49)37-19-23-39(24-20-37)51-32-29-46-28-27-45(6-2)33-46;1-5-30-49-31-15-13-11-9-7-8-10-12-14-16-32-50-39-21-17-37(18-22-39)43(47)52-41-25-26-42(36(4)35(41)3)53-44(48)38-19-23-40(24-20-38)51-33-29-46-28-27-45(6-2)34-46;1-5-38(43)48-27-12-10-8-7-9-11-26-46-34-17-13-32(14-18-34)39(44)49-36-21-22-37(31(4)30(36)3)50-40(45)33-15-19-35(20-16-33)47-28-25-42-24-23-41(6-2)29-42;1-5-36(41)46-25-10-8-7-9-24-44-32-15-11-30(12-16-32)37(42)47-34-19-20-35(29(4)28(34)3)48-38(43)31-13-17-33(18-14-31)45-26-23-40-22-21-39(6-2)27-40;1-5-34(39)44-23-8-7-22-42-30-13-9-28(10-14-30)35(40)45-32-17-18-33(27(4)26(32)3)46-36(41)29-11-15-31(16-12-29)43-24-21-38-20-19-37(6-2)25-38;1-5-33(38)43-22-7-21-41-29-12-8-27(9-13-29)34(39)44-31-16-17-32(26(4)25(31)3)45-35(40)28-10-14-30(15-11-28)42-23-20-37-19-18-36(6-2)24-37;7*1-2;;;;;;;/h6,17-28,33H,1-2,7-16,29-32H2,3-5H3;5-6,17-28,33H,1-2,7-16,29-32H2,3-4H3;5-6,17-28,34H,1-2,7-16,29-33H2,3-4H3;5-6,13-24,29H,1-2,7-12,25-28H2,3-4H3;5-6,11-22,27H,1-2,7-10,23-26H2,3-4H3;5-6,9-20,25H,1-2,7-8,21-24H2,3-4H3;5-6,8-19,24H,1-2,7,20-23H2,3-4H3;7*1-2H3;7*1H/q7*+1;;;;;;;;;;;;;;/p-7
InChIKeyBLXWHWMCIYDWNM-UHFFFAOYSA-G
XLogP39.68
TPSA726.12 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds142
Heavy Atoms372
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005556.53
LogP ≤ 539.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide?
The IUPAC name of ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide (CID 158041600) is ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide.
What is the SMILES notation for ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide?
The canonical SMILES for ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide is C=CC(=O)OCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=CCOCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC[n+]4ccn(C=C)c4)cc3)c(C)c2C)cc1.C=Cn1cc[n+](CCOc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OCCCCCCCCCCCCOC(=O)C(=C)C)cc4)c(C)c3C)cc2)c1.CC.CC.CC.CC.CC.CC.CC.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].
What is the InChIKey of ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide?
The InChIKey is BLXWHWMCIYDWNM-UHFFFAOYSA-G. The full InChI is InChI=1S/C45H55N2O8.C44H53N2O8.C44H55N2O7.C40H45N2O8.C38H41N2O8.C36H37N2O8.C35H35N2O8.7C2H6.7BrH/c1-6-46-27-28-47(33-46)29-32-52-40-23-19-38(20-24-40)45(50)55-42-26-25-41(35(4)36(42)5)54-44(49)37-17-21-39(22-18-37)51-30-15-13-11-9-7-8-10-12-14-16-31-53-43(48)34(2)3;1-5-42(47)52-31-16-14-12-10-8-7-9-11-13-15-30-50-38-21-17-36(18-22-38)43(48)53-40-25-26-41(35(4)34(40)3)54-44(49)37-19-23-39(24-20-37)51-32-29-46-28-27-45(6-2)33-46;1-5-30-49-31-15-13-11-9-7-8-10-12-14-16-32-50-39-21-17-37(18-22-39)43(47)52-41-25-26-42(36(4)35(41)3)53-44(48)38-19-23-40(24-20-38)51-33-29-46-28-27-45(6-2)34-46;1-5-38(43)48-27-12-10-8-7-9-11-26-46-34-17-13-32(14-18-34)39(44)49-36-21-22-37(31(4)30(36)3)50-40(45)33-15-19-35(20-16-33)47-28-25-42-24-23-41(6-2)29-42;1-5-36(41)46-25-10-8-7-9-24-44-32-15-11-30(12-16-32)37(42)47-34-19-20-35(29(4)28(34)3)48-38(43)31-13-17-33(18-14-31)45-26-23-40-22-21-39(6-2)27-40;1-5-34(39)44-23-8-7-22-42-30-13-9-28(10-14-30)35(40)45-32-17-18-33(27(4)26(32)3)46-36(41)29-11-15-31(16-12-29)43-24-21-38-20-19-37(6-2)25-38;1-5-33(38)43-22-7-21-41-29-12-8-27(9-13-29)34(39)44-31-16-17-32(26(4)25(31)3)45-35(40)28-10-14-30(15-11-28)42-23-20-37-19-18-36(6-2)24-37;7*1-2;;;;;;;/h6,17-28,33H,1-2,7-16,29-32H2,3-5H3;5-6,17-28,33H,1-2,7-16,29-32H2,3-4H3;5-6,17-28,34H,1-2,7-16,29-33H2,3-4H3;5-6,13-24,29H,1-2,7-12,25-28H2,3-4H3;5-6,11-22,27H,1-2,7-10,23-26H2,3-4H3;5-6,9-20,25H,1-2,7-8,21-24H2,3-4H3;5-6,8-19,24H,1-2,7,20-23H2,3-4H3;7*1-2H3;7*1H/q7*+1;;;;;;;;;;;;;;/p-7.
What are the key properties of ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide?
ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide has a molecular weight of 5556.53 g/mol, XLogP of 39.68, 142 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(8-prop-2-enoyloxyoctoxy)benzoate;[4-[4-[2-(3-ethenylimidazol-1-ium-1-yl)ethoxy]benzoyl]oxy-2,3-dimethylphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate;heptabromide is sourced from PubChem (CID 158041600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).