[4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate

C215H253ClO61S — CID 163410846

IUPAC[4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate
SMILESC=CC(=O)OCCCCOC(=O)C1CCC(C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4c(OC(=O)CCl)cccc34)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4c(OS(C)(=O)=O)cccc34)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4ccccc34)CC2)CC1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)cc4)c4c(OC(C)=O)cccc34)cc2)cc1
InChIInChI=1S/C54H69ClO14.C54H46O16.C54H68O16.C53H70O15S/c1-3-47(56)63-30-5-7-32-65-51(59)39-20-12-35(13-21-39)37-16-24-41(25-17-37)53(61)68-44-28-29-46(50-43(44)10-9-11-45(50)67-49(58)34-55)69-54(62)42-26-18-38(19-27-42)36-14-22-40(23-15-36)52(60)66-33-8-6-31-64-48(57)4-2;1-4-48(56)64-33-8-6-31-62-40-21-13-36(14-22-40)51(58)67-42-25-17-38(18-26-42)53(60)69-45-29-30-47(50-44(45)11-10-12-46(50)66-35(3)55)70-54(61)39-19-27-43(28-20-39)68-52(59)37-15-23-41(24-16-37)63-32-7-9-34-65-49(57)5-2;1-3-47(55)63-31-7-9-33-65-49(57)35-21-25-41(26-22-35)67-51(59)37-13-17-39(18-14-37)53(61)69-45-29-30-46(44-12-6-5-11-43(44)45)70-54(62)40-19-15-38(16-20-40)52(60)68-42-27-23-36(24-28-42)50(58)66-34-10-8-32-64-48(56)4-2;1-4-47(54)62-31-6-8-33-64-50(56)39-21-13-35(14-22-39)37-17-25-41(26-18-37)52(58)66-44-29-30-45(49-43(44)11-10-12-46(49)68-69(3,60)61)67-53(59)42-27-19-38(20-28-42)36-15-23-40(24-16-36)51(57)65-34-9-7-32-63-48(55)5-2/h3-4,9-11,28-29,35-42H,1-2,5-8,12-27,30-34H2;4-5,10-30H,1-2,6-9,31-34H2,3H3;3-6,11-12,29-30,35-42H,1-2,7-10,13-28,31-34H2;4-5,10-12,29-30,35-42H,1-2,6-9,13-28,31-34H2,3H3
InChIKeyAAJBPRXUUGMBKQ-UHFFFAOYSA-N
MW3880.85 g/mol
LogP37.44
Rot. Bonds89

About [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate

[4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate (PubChem CID 163410846) has the molecular formula C215H253ClO61S and a molecular weight of 3880.85 g/mol. Its IUPAC name is [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate
PubChem CID163410846
Molecular FormulaC215H253ClO61S
Molecular Weight3880.85 g/mol
Exact Mass3877.61
IUPAC Name[4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate
SMILESC=CC(=O)OCCCCOC(=O)C1CCC(C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4c(OC(=O)CCl)cccc34)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4c(OS(C)(=O)=O)cccc34)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4ccccc34)CC2)CC1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)cc4)c4c(OC(C)=O)cccc34)cc2)cc1
InChIInChI=1S/C54H69ClO14.C54H46O16.C54H68O16.C53H70O15S/c1-3-47(56)63-30-5-7-32-65-51(59)39-20-12-35(13-21-39)37-16-24-41(25-17-37)53(61)68-44-28-29-46(50-43(44)10-9-11-45(50)67-49(58)34-55)69-54(62)42-26-18-38(19-27-42)36-14-22-40(23-15-36)52(60)66-33-8-6-31-64-48(57)4-2;1-4-48(56)64-33-8-6-31-62-40-21-13-36(14-22-40)51(58)67-42-25-17-38(18-26-42)53(60)69-45-29-30-47(50-44(45)11-10-12-46(50)66-35(3)55)70-54(61)39-19-27-43(28-20-39)68-52(59)37-15-23-41(24-16-37)63-32-7-9-34-65-49(57)5-2;1-3-47(55)63-31-7-9-33-65-49(57)35-21-25-41(26-22-35)67-51(59)37-13-17-39(18-14-37)53(61)69-45-29-30-46(44-12-6-5-11-43(44)45)70-54(62)40-19-15-38(16-20-40)52(60)68-42-27-23-36(24-28-42)50(58)66-34-10-8-32-64-48(56)4-2;1-4-47(54)62-31-6-8-33-64-50(56)39-21-13-35(14-22-39)37-17-25-41(26-18-37)52(58)66-44-29-30-45(49-43(44)11-10-12-46(49)68-69(3,60)61)67-53(59)42-27-19-38(20-28-42)36-15-23-40(24-16-36)51(57)65-34-9-7-32-63-48(55)5-2/h3-4,9-11,28-29,35-42H,1-2,5-8,12-27,30-34H2;4-5,10-30H,1-2,6-9,31-34H2,3H3;3-6,11-12,29-30,35-42H,1-2,7-10,13-28,31-34H2;4-5,10-12,29-30,35-42H,1-2,6-9,13-28,31-34H2,3H3
InChIKeyAAJBPRXUUGMBKQ-UHFFFAOYSA-N
XLogP37.44
TPSA798.23 Ų
H-Bond Donors
H-Bond Acceptors61
Rotatable Bonds89
Heavy Atoms278
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003880.85
LogP ≤ 537.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate?
The IUPAC name of [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate (CID 163410846) is [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate.
What is the SMILES notation for [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate?
The canonical SMILES for [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate is C=CC(=O)OCCCCOC(=O)C1CCC(C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4c(OC(=O)CCl)cccc34)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4c(OS(C)(=O)=O)cccc34)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(C(=O)OCCCCOC(=O)C=C)CC5)CC4)c4ccccc34)CC2)CC1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)cc4)c4c(OC(C)=O)cccc34)cc2)cc1.
What is the InChIKey of [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate?
The InChIKey is AAJBPRXUUGMBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H69ClO14.C54H46O16.C54H68O16.C53H70O15S/c1-3-47(56)63-30-5-7-32-65-51(59)39-20-12-35(13-21-39)37-16-24-41(25-17-37)53(61)68-44-28-29-46(50-43(44)10-9-11-45(50)67-49(58)34-55)69-54(62)42-26-18-38(19-27-42)36-14-22-40(23-15-36)52(60)66-33-8-6-31-64-48(57)4-2;1-4-48(56)64-33-8-6-31-62-40-21-13-36(14-22-40)51(58)67-42-25-17-38(18-26-42)53(60)69-45-29-30-47(50-44(45)11-10-12-46(50)66-35(3)55)70-54(61)39-19-27-43(28-20-39)68-52(59)37-15-23-41(24-16-37)63-32-7-9-34-65-49(57)5-2;1-3-47(55)63-31-7-9-33-65-49(57)35-21-25-41(26-22-35)67-51(59)37-13-17-39(18-14-37)53(61)69-45-29-30-46(44-12-6-5-11-43(44)45)70-54(62)40-19-15-38(16-20-40)52(60)68-42-27-23-36(24-28-42)50(58)66-34-10-8-32-64-48(56)4-2;1-4-47(54)62-31-6-8-33-64-50(56)39-21-13-35(14-22-39)37-17-25-41(26-18-37)52(58)66-44-29-30-45(49-43(44)11-10-12-46(49)68-69(3,60)61)67-53(59)42-27-19-38(20-28-42)36-15-23-40(24-16-36)51(57)65-34-9-7-32-63-48(55)5-2/h3-4,9-11,28-29,35-42H,1-2,5-8,12-27,30-34H2;4-5,10-30H,1-2,6-9,31-34H2,3H3;3-6,11-12,29-30,35-42H,1-2,7-10,13-28,31-34H2;4-5,10-12,29-30,35-42H,1-2,6-9,13-28,31-34H2,3H3.
What are the key properties of [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate?
[4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate has a molecular weight of 3880.85 g/mol, XLogP of 37.44, 89 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-acetyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalen-1-yl]oxycarbonylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;1-O-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl] 4-O-[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxynaphthalen-1-yl] cyclohexane-1,4-dicarboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-(2-chloroacetyl)oxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-[4-[5-methylsulfonyloxy-4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexanecarbonyl]oxynaphthalen-1-yl]oxycarbonylcyclohexyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 163410846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).