[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate

C268H276Br4O72 — CID 159386034

IUPAC[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate
SMILESC=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)cc2C)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCOC(=O)C=C)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCBr)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCBr)cc3)cc2C)cc1.Cc1cc(OC(=O)c2ccc(OC(=O)CCCCCBr)cc2)ccc1OC(=O)c1ccc(OC(=O)CCCCCBr)cc1
InChIInChI=1S/C39H40O12.2C35H36O10.C33H34Br2O8.2C32H33BrO8.2C31H32O8/c1-4-34(40)46-24-10-6-8-12-36(42)48-30-18-14-28(15-19-30)38(44)50-32-22-23-33(27(3)26-32)51-39(45)29-16-20-31(21-17-29)49-37(43)13-9-7-11-25-47-35(41)5-2;1-4-6-10-32(37)42-27-18-14-26(15-19-27)35(40)45-30-21-20-29(23-24(30)3)44-34(39)25-12-16-28(17-13-25)43-33(38)11-8-7-9-22-41-31(36)5-2;1-4-6-10-32(37)42-27-16-12-25(13-17-27)34(39)44-29-20-21-30(24(3)23-29)45-35(40)26-14-18-28(19-15-26)43-33(38)11-8-7-9-22-41-31(36)5-2;1-23-22-28(42-32(38)24-10-14-26(15-11-24)40-30(36)8-4-2-6-20-34)18-19-29(23)43-33(39)25-12-16-27(17-13-25)41-31(37)9-5-3-7-21-35;1-3-4-8-29(34)38-25-16-12-24(13-17-25)32(37)41-28-19-18-27(21-22(28)2)40-31(36)23-10-14-26(15-11-23)39-30(35)9-6-5-7-20-33;1-3-4-8-29(34)38-25-14-10-23(11-15-25)31(36)40-27-18-19-28(22(2)21-27)41-32(37)24-12-16-26(17-13-24)39-30(35)9-6-5-7-20-33;2*1-4-6-8-28(32)36-24-14-10-22(11-15-24)30(34)38-26-18-19-27(21(3)20-26)39-31(35)23-12-16-25(17-13-23)37-29(33)9-7-5-2/h4-5,14-23,26H,1-2,6-13,24-25H2,3H3;2*5,12-21,23H,2,4,6-11,22H2,1,3H3;10-19,22H,2-9,20-21H2,1H3;2*10-19,21H,3-9,20H2,1-2H3;2*10-20H,4-9H2,1-3H3
InChIKeyLLMSBLKTRJDMFH-UHFFFAOYSA-N
MW4968.70 g/mol
LogP56.45
Rot. Bonds120

About [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate

[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate (PubChem CID 159386034) has the molecular formula C268H276Br4O72 and a molecular weight of 4968.70 g/mol. Its IUPAC name is [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate.

Molecular Properties

Compound Name[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate
PubChem CID159386034
Molecular FormulaC268H276Br4O72
Molecular Weight4968.70 g/mol
Exact Mass4961.47
IUPAC Name[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate
SMILESC=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)cc2C)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCOC(=O)C=C)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCBr)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCBr)cc3)cc2C)cc1.Cc1cc(OC(=O)c2ccc(OC(=O)CCCCCBr)cc2)ccc1OC(=O)c1ccc(OC(=O)CCCCCBr)cc1
InChIInChI=1S/C39H40O12.2C35H36O10.C33H34Br2O8.2C32H33BrO8.2C31H32O8/c1-4-34(40)46-24-10-6-8-12-36(42)48-30-18-14-28(15-19-30)38(44)50-32-22-23-33(27(3)26-32)51-39(45)29-16-20-31(21-17-29)49-37(43)13-9-7-11-25-47-35(41)5-2;1-4-6-10-32(37)42-27-18-14-26(15-19-27)35(40)45-30-21-20-29(23-24(30)3)44-34(39)25-12-16-28(17-13-25)43-33(38)11-8-7-9-22-41-31(36)5-2;1-4-6-10-32(37)42-27-16-12-25(13-17-27)34(39)44-29-20-21-30(24(3)23-29)45-35(40)26-14-18-28(19-15-26)43-33(38)11-8-7-9-22-41-31(36)5-2;1-23-22-28(42-32(38)24-10-14-26(15-11-24)40-30(36)8-4-2-6-20-34)18-19-29(23)43-33(39)25-12-16-27(17-13-25)41-31(37)9-5-3-7-21-35;1-3-4-8-29(34)38-25-16-12-24(13-17-25)32(37)41-28-19-18-27(21-22(28)2)40-31(36)23-10-14-26(15-11-23)39-30(35)9-6-5-7-20-33;1-3-4-8-29(34)38-25-14-10-23(11-15-25)31(36)40-27-18-19-28(22(2)21-27)41-32(37)24-12-16-26(17-13-24)39-30(35)9-6-5-7-20-33;2*1-4-6-8-28(32)36-24-14-10-22(11-15-24)30(34)38-26-18-19-27(21(3)20-26)39-31(35)23-12-16-25(17-13-23)37-29(33)9-7-5-2/h4-5,14-23,26H,1-2,6-13,24-25H2,3H3;2*5,12-21,23H,2,4,6-11,22H2,1,3H3;10-19,22H,2-9,20-21H2,1H3;2*10-19,21H,3-9,20H2,1-2H3;2*10-20H,4-9H2,1-3H3
InChIKeyLLMSBLKTRJDMFH-UHFFFAOYSA-N
XLogP56.45
TPSA946.80 Ų
H-Bond Donors
H-Bond Acceptors72
Rotatable Bonds120
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004968.70
LogP ≤ 556.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1072

Analyze [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate with MolForge

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Related Compounds

[4-(4-hexanoyloxybenzoyl)oxy-3-methylphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate
CID 59609237
[3-methyl-4-[4-(4-prop-2-enoyloxybutanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate
CID 58261293
[3-methyl-4-(4-prop-2-enoyloxycarbonyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate
CID 58383093
[3-methyl-4-[6-(6-prop-2-enoyloxyhexanoyloxy)naphthalene-2-carbonyl]oxyphenyl] 6-(2-prop-2-enoyloxyacetyl)oxynaphthalene-2-carboxylate
CID 59582810
[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxycarbonyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxycarbonyloxy)benzoate
CID 58721045
[3-methyl-4-[4-[4-(5-prop-2-enoyloxypentoxycarbonyloxy)benzoyl]oxybenzoyl]oxyphenyl] 4-[4-(5-prop-2-enoyloxypentoxycarbonyloxy)benzoyl]oxybenzoate
CID 59847611
methane;[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
CID 159703528
ethane;[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 145125314
methane;[3-methyl-4-[4-(4-propanoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158354481
[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 162149365
[2-methyl-4-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoyl]oxyphenyl] 4-hydroxybenzoate
CID 58640515
[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;pentyl formate
CID 143823283

Frequently Asked Questions

What is the IUPAC name of [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate?
The IUPAC name of [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate (CID 159386034) is [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate.
What is the SMILES notation for [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate?
The canonical SMILES for [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate is C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)cc2C)cc1.C=CC(=O)OCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCOC(=O)C=C)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCC)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCBr)cc3)c(C)c2)cc1.CCCCC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)CCCCCBr)cc3)cc2C)cc1.Cc1cc(OC(=O)c2ccc(OC(=O)CCCCCBr)cc2)ccc1OC(=O)c1ccc(OC(=O)CCCCCBr)cc1.
What is the InChIKey of [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate?
The InChIKey is LLMSBLKTRJDMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O12.2C35H36O10.C33H34Br2O8.2C32H33BrO8.2C31H32O8/c1-4-34(40)46-24-10-6-8-12-36(42)48-30-18-14-28(15-19-30)38(44)50-32-22-23-33(27(3)26-32)51-39(45)29-16-20-31(21-17-29)49-37(43)13-9-7-11-25-47-35(41)5-2;1-4-6-10-32(37)42-27-18-14-26(15-19-27)35(40)45-30-21-20-29(23-24(30)3)44-34(39)25-12-16-28(17-13-25)43-33(38)11-8-7-9-22-41-31(36)5-2;1-4-6-10-32(37)42-27-16-12-25(13-17-27)34(39)44-29-20-21-30(24(3)23-29)45-35(40)26-14-18-28(19-15-26)43-33(38)11-8-7-9-22-41-31(36)5-2;1-23-22-28(42-32(38)24-10-14-26(15-11-24)40-30(36)8-4-2-6-20-34)18-19-29(23)43-33(39)25-12-16-27(17-13-25)41-31(37)9-5-3-7-21-35;1-3-4-8-29(34)38-25-16-12-24(13-17-25)32(37)41-28-19-18-27(21-22(28)2)40-31(36)23-10-14-26(15-11-23)39-30(35)9-6-5-7-20-33;1-3-4-8-29(34)38-25-14-10-23(11-15-25)31(36)40-27-18-19-28(22(2)21-27)41-32(37)24-12-16-26(17-13-24)39-30(35)9-6-5-7-20-33;2*1-4-6-8-28(32)36-24-14-10-22(11-15-24)30(34)38-26-18-19-27(21(3)20-26)39-31(35)23-12-16-25(17-13-23)37-29(33)9-7-5-2/h4-5,14-23,26H,1-2,6-13,24-25H2,3H3;2*5,12-21,23H,2,4,6-11,22H2,1,3H3;10-19,22H,2-9,20-21H2,1H3;2*10-19,21H,3-9,20H2,1-2H3;2*10-20H,4-9H2,1-3H3.
What are the key properties of [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate?
[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate has a molecular weight of 4968.70 g/mol, XLogP of 56.45, 120 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-(6-bromohexanoyloxy)benzoate;[4-[4-(6-bromohexanoyloxy)benzoyl]oxy-3-methylphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-bromohexanoyloxy)benzoate;bis([3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-pentanoyloxybenzoate);[3-methyl-4-(4-pentanoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-pentanoyloxybenzoate;[3-methyl-4-[4-(6-prop-2-enoyloxyhexanoyloxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexanoyloxy)benzoate is sourced from PubChem (CID 159386034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).