About [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
[4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 158979300) has the molecular formula C190H246N8O34S12
and a molecular weight of 3570.88 g/mol. Its IUPAC name is [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate (CID 158979300) is [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is [C-]#[N+]C(C#N)=C1Sc2c(OC(=O)C3CCC(OC(=O)C4CCC(C5CCC(CCC)CC5)CC4)CC3)c3c(c(OC(=O)C4CCC(OC(=O)C5CCC(C6CCC(CCC)CC6)CC5)CC4)c2S1)SC(=C(C#N)[N+]#[C-])S3.[C-]#[N+]C(C(=O)OC)=C1Sc2c(OC(=O)C3CCC(C4CCC(OC(=O)C5CCC(CCCC)CC5)CC4)CC3)c3c(c(OC(=O)C4CCC(C5CCC(OC(=O)C6CCC(CCCC)CC6)CC5)CC4)c2S1)SC(=C(C#N)C(=O)OC)S3.[C-]#[N+]C(C(=O)OCCOC)=C1Sc2c(OC(=O)C3CCC(OC(=O)C4CCC(C5CCC(CCC)CC5)CC4)CC3)c3c(c(OC(=O)C4CCC(OC(=O)C5CCC(C6CCC(CCC)CC6)CC5)CC4)c2S1)SC(=C(C#N)C(=O)OCCOC)S3.
What is the InChIKey of [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is JOUDYACNNNMFQG-KNOXFGCRSA-N. The full InChI is InChI=1S/C66H88N2O14S4.C64H84N2O12S4.C60H74N4O8S4/c1-6-8-39-10-14-41(15-11-39)43-18-22-45(23-19-43)59(69)79-49-30-26-47(27-31-49)61(71)81-53-55-56(84-65(83-55)51(38-67)63(73)77-36-34-75-4)54(58-57(53)85-66(86-58)52(68-3)64(74)78-37-35-76-5)82-62(72)48-28-32-50(33-29-48)80-60(70)46-24-20-44(21-25-46)42-16-12-40(9-7-2)13-17-42;1-6-8-10-37-12-16-43(17-13-37)57(67)75-47-32-28-41(29-33-47)39-20-24-45(25-21-39)59(69)77-51-53-54(80-63(79-53)49(36-65)61(71)73-4)52(56-55(51)81-64(82-56)50(66-3)62(72)74-5)78-60(70)46-26-22-40(23-27-46)42-30-34-48(35-31-42)76-58(68)44-18-14-38(15-19-44)11-9-7-2;1-5-7-35-9-13-37(14-10-35)39-17-21-41(22-18-39)55(65)69-45-29-25-43(26-30-45)57(67)71-49-51-53(75-59(73-51)47(33-61)63-3)50(54-52(49)74-60(76-54)48(34-62)64-4)72-58(68)44-27-31-46(32-28-44)70-56(66)42-23-19-40(20-24-42)38-15-11-36(8-6-2)12-16-38/h39-50H,6-37H2,1-2,4-5H3;37-48H,6-35H2,1-2,4-5H3;35-46H,5-32H2,1-2H3/b65-51-,66-52-;63-49-,64-50-;59-47-,60-48-.
What are the key properties of [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate?
[4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 3570.88 g/mol, XLogP of 47.14, 54 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2,6-bis[cyano(isocyano)methylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;[4-[4-[[8-[4-[4-(4-butylcyclohexanecarbonyl)oxycyclohexyl]cyclohexanecarbonyl]oxy-6-(1-cyano-2-methoxy-2-oxoethylidene)-2-(1-isocyano-2-methoxy-2-oxoethylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl]cyclohexyl] 4-butylcyclohexane-1-carboxylate;[4-[[6-[1-cyano-2-(2-methoxyethoxy)-2-oxoethylidene]-2-[1-isocyano-2-(2-methoxyethoxy)-2-oxoethylidene]-8-[4-[4-(4-propylcyclohexyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-[1,3]dithiolo[4,5-f][1,3]benzodithiol-4-yl]oxycarbonyl]cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 158979300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).