bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate

C206H181N7O33 — CID 159364639

IUPACbis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate
SMILESCCCCCCCOC(=O)c1ccc(OC(=O)/C=C\C(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)c3ccc(CC)cc3)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1.[C-]#[N+]c1ccc(C(=O)c2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)Oc3ccc(C(=O)c4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H20N2O7.C32H40O8.C28H30O3.C24H22O3.C15H11NO3.2C15H11NO2.2C15H11NO.C15H14O3/c1-34-25-10-16-28(17-11-25)41-32(38)24-8-14-27(15-9-24)40-30(36)19-18-29(35)39-26-12-6-23(7-13-26)31(37)22-4-2-21(20-33)3-5-22;1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-4-5-6-7-8-22-11-13-23(14-12-22)27(29)24-15-17-25(18-16-24)28(30)31-26-19-9-21(2)10-20-26;1-3-17-5-9-19(10-6-17)23(25)20-11-13-21(14-12-20)24(26)27-22-15-7-18(4-2)8-16-22;1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14;2*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(17)13-7-9-14(16-2)10-8-13;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h2-17H,18-19H2;13-22H,3-12,23-24H2,1-2H3;9-20H,3-8H2,1-2H3;5-16H,3-4H2,1-2H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3;3-10H,1H3;3-10H,1-2H3/b;22-21-;;;;;;;;
InChIKeyLIYXCCHVLOQMQB-AHGZRVGASA-N
MW3282.73 g/mol
LogP44.13
Rot. Bonds57

About bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate

bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate (PubChem CID 159364639) has the molecular formula C206H181N7O33 and a molecular weight of 3282.73 g/mol. Its IUPAC name is bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate.

Molecular Properties

Compound Namebis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate
PubChem CID159364639
Molecular FormulaC206H181N7O33
Molecular Weight3282.73 g/mol
Exact Mass3280.27
IUPAC Namebis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate
SMILESCCCCCCCOC(=O)c1ccc(OC(=O)/C=C\C(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)c3ccc(CC)cc3)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1.[C-]#[N+]c1ccc(C(=O)c2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)Oc3ccc(C(=O)c4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H20N2O7.C32H40O8.C28H30O3.C24H22O3.C15H11NO3.2C15H11NO2.2C15H11NO.C15H14O3/c1-34-25-10-16-28(17-11-25)41-32(38)24-8-14-27(15-9-24)40-30(36)19-18-29(35)39-26-12-6-23(7-13-26)31(37)22-4-2-21(20-33)3-5-22;1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-4-5-6-7-8-22-11-13-23(14-12-22)27(29)24-15-17-25(18-16-24)28(30)31-26-19-9-21(2)10-20-26;1-3-17-5-9-19(10-6-17)23(25)20-11-13-21(14-12-20)24(26)27-22-15-7-18(4-2)8-16-22;1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14;2*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(17)13-7-9-14(16-2)10-8-13;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h2-17H,18-19H2;13-22H,3-12,23-24H2,1-2H3;9-20H,3-8H2,1-2H3;5-16H,3-4H2,1-2H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3;3-10H,1H3;3-10H,1-2H3/b;22-21-;;;;;;;;
InChIKeyLIYXCCHVLOQMQB-AHGZRVGASA-N
XLogP44.13
TPSA573.38 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds57
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003282.73
LogP ≤ 544.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate with MolForge

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Related Compounds

bis(4-ethylphenyl) benzene-1,4-dicarboxylate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptylphenyl) but-2-enedioate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methylphenyl) benzene-1,4-dicarboxylate;(4-cyanophenyl) 4-(hydroxymethyl)benzoate;tris((4-cyanophenyl) 4-methylbenzoate);4-O-(4-heptylphenyl) 1-O-(4-methylphenyl) benzene-1,4-dicarboxylate;(4-isocyanophenyl) 4-[4-(4-cyanophenyl)-4-oxobutanoyl]oxybenzoate;(4-methoxyphenyl) 4-methylbenzoate;(4-methylphenyl) 4-isocyanobenzoate
CID 162088747
1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanobenzoyl)oxyphenyl] butanedioate;(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate
CID 91038486
1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);[4-(2-ethylhexoxy)phenyl] 4-[4-(2-ethylhexoxy)benzoyl]benzoate;2-ethylhexyl 4-[4-[4-(2-ethylhexoxycarbonyl)phenoxy]carbonylbenzoyl]benzoate;(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-formylphenyl) 4-(4-methylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 6-(4-methoxybenzoyl)naphthalene-2-carboxylate;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;methyl 4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]benzoate;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate;bis((4-methylphenyl) 4-(4-methylbenzoyl)benzoate);(4-methylphenyl) 6-(4-methylbenzoyl)pyridine-3-carboxylate
CID 160838241
[4-(4-ethylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;pentakis([4-(4-methylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate);[4-(4-pentylphenoxy)carbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 158853417
ethane;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(5-prop-2-enoyloxypentoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 162074025
(4-pentoxyphenyl) 4-hexylbenzoate;(4-pentylphenyl) 4-methylbenzoate;(4-pentylphenyl) 4-pentylbenzoate
CID 162088804
methoxymethane;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-butylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methoxybenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-methylbenzoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-propylbenzoate
CID 157170945
7-[4-[4-(4-nonylphenoxy)carbonylphenoxy]carbonylphenoxy]heptyl 4-(4-heptylphenyl)benzoate
CID 102091630
(4-methoxyphenyl) 4-(6-propanoyloxyhexyl)benzoate
CID 101128329
bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;[4-(4-hexanoyloxybenzoyl)oxycyclohexyl] 4-hexanoyloxybenzoate;[4-(4-octanoyloxybenzoyl)oxycyclohexyl] 4-octanoyloxybenzoate
CID 158951272
bis(4-ethoxycarbonylphenyl) but-2-ynedioate;bis(4-ethylphenyl) but-2-ynedioate;bis(4-heptoxycarbonylphenyl) but-2-enedioate;bis(4-heptoxycarbonylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-heptylphenyl) but-2-enedioate;bis(4-heptylphenyl) cyclohexane-1,4-dicarboxylate;bis(4-hexoxyphenyl) but-2-enedioate;bis(4-methoxyphenyl) but-2-ynedioate;bis(bis(4-methylphenyl) but-2-ynedioate);diphenyl but-2-ynedioate;[4-(4-ethylbenzoyl)oxycyclohexyl] 4-ethylbenzoate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate);bis([4-(4-methylbenzoyl)oxycyclohexyl] 4-methylbenzoate)
CID 159211886
(4-butoxycarbonylphenyl) 4-(4-methylbenzoyl)benzoate
CID 58757911

Frequently Asked Questions

What is the IUPAC name of bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate?
The IUPAC name of bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate (CID 159364639) is bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate.
What is the SMILES notation for bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate?
The canonical SMILES for bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate is CCCCCCCOC(=O)c1ccc(OC(=O)/C=C\C(=O)Oc2ccc(C(=O)OCCCCCCC)cc2)cc1.CCCCCCCc1ccc(C(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1.CCc1ccc(OC(=O)c2ccc(C(=O)c3ccc(CC)cc3)cc2)cc1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.COc1ccc(OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1.Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1.[C-]#[N+]c1ccc(C(=O)c2ccc(C)cc2)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc(OC(=O)CCC(=O)Oc3ccc(C(=O)c4ccc(C#N)cc4)cc3)cc2)cc1.
What is the InChIKey of bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate?
The InChIKey is LIYXCCHVLOQMQB-AHGZRVGASA-N. The full InChI is InChI=1S/C32H20N2O7.C32H40O8.C28H30O3.C24H22O3.C15H11NO3.2C15H11NO2.2C15H11NO.C15H14O3/c1-34-25-10-16-28(17-11-25)41-32(38)24-8-14-27(15-9-24)40-30(36)19-18-29(35)39-26-12-6-23(7-13-26)31(37)22-4-2-21(20-33)3-5-22;1-3-5-7-9-11-23-37-31(35)25-13-17-27(18-14-25)39-29(33)21-22-30(34)40-28-19-15-26(16-20-28)32(36)38-24-12-10-8-6-4-2;1-3-4-5-6-7-8-22-11-13-23(14-12-22)27(29)24-15-17-25(18-16-24)28(30)31-26-19-9-21(2)10-20-26;1-3-17-5-9-19(10-6-17)23(25)20-11-13-21(14-12-20)24(26)27-22-15-7-18(4-2)8-16-22;1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14;2*1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14;1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14;1-11-3-5-12(6-4-11)15(17)13-7-9-14(16-2)10-8-13;1-11-3-5-12(6-4-11)15(16)18-14-9-7-13(17-2)8-10-14/h2-17H,18-19H2;13-22H,3-12,23-24H2,1-2H3;9-20H,3-8H2,1-2H3;5-16H,3-4H2,1-2H3;2-9H,1H3;2*2-9H,1H3;2-9H,1H3;3-10H,1H3;3-10H,1-2H3/b;22-21-;;;;;;;;.
What are the key properties of bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate?
bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate has a molecular weight of 3282.73 g/mol, XLogP of 44.13, 57 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-heptoxycarbonylphenyl) (Z)-but-2-enedioate;1-O-[4-(4-cyanobenzoyl)phenyl] 4-O-[4-(4-isocyanophenoxy)carbonylphenyl] butanedioate;(4-cyanophenyl) 4-methoxybenzoate;bis((4-cyanophenyl) 4-methylbenzoate);(4-ethylphenyl) 4-(4-ethylbenzoyl)benzoate;(4-isocyanophenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl) 4-methylbenzoate;4-(4-methylbenzoyl)benzonitrile;(4-methylphenyl) 4-(4-heptylbenzoyl)benzoate is sourced from PubChem (CID 159364639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).