About 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane
4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane (PubChem CID 172949232) has the molecular formula C186H241N9O54S3
and a molecular weight of 3563.18 g/mol. Its IUPAC name is 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane.
Frequently Asked Questions
What is the IUPAC name of 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
The IUPAC name of 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane (CID 172949232) is 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane.
What is the SMILES notation for 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
The canonical SMILES for 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane is C.C.C.C.C.C.C.C.C=CC(=O)OCCOC(=O)CCC(=O)OCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(CCOC(=O)CCC(=O)OCCOC(=O)C=C)cc5)CC4)c(/C=N/Nc4nc5ccccc5s4)c3)CC2)cc1.C=CC(=O)OCCOCCOCCN(/N=C/c1cc(OC(=O)C2CCC(C(=O)OC3CCC(OCOC(=O)C=C)CC3)CC2)ccc1OC(=O)C1CCC(C(=O)OC2CCC(OCOC(=O)C=C)CC2)CC1)c1nc2ccccc2s1.C=CC(=O)OCOC1CCC(OC(=O)C2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(C(=O)OC5CCC(OCOC(=O)C=C)CC5)CC4)c(/C=N/N(CCOCCOC)c4nc5ccccc5s4)c3)CC2)CC1.
What is the InChIKey of 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
The InChIKey is CQCDODGHTKEZEJ-HVEUFRNUSA-N. The full InChI is InChI=1S/C64H67N3O20S.C59H73N3O18S.C55H69N3O16S.8CH4/c1-3-54(68)80-35-37-82-58(72)29-27-56(70)78-33-31-41-9-21-48(22-10-41)84-60(74)43-13-15-45(16-14-43)62(76)86-50-25-26-52(47(39-50)40-65-67-64-66-51-7-5-6-8-53(51)88-64)87-63(77)46-19-17-44(18-20-46)61(75)85-49-23-11-42(12-24-49)32-34-79-57(71)28-30-59(73)83-38-36-81-55(69)4-2;1-4-52(63)72-34-33-71-32-31-70-30-29-62(59-61-49-9-7-8-10-51(49)81-59)60-36-43-35-48(79-57(68)41-13-11-39(12-14-41)55(66)77-46-23-19-44(20-24-46)73-37-75-53(64)5-2)27-28-50(43)80-58(69)42-17-15-40(16-18-42)56(67)78-47-25-21-45(22-26-47)74-38-76-54(65)6-3;1-4-49(59)69-34-67-41-18-22-43(23-19-41)71-51(61)36-10-12-38(13-11-36)53(63)73-45-26-27-47(40(32-45)33-56-58(28-29-66-31-30-65-3)55-57-46-8-6-7-9-48(46)75-55)74-54(64)39-16-14-37(15-17-39)52(62)72-44-24-20-42(21-25-44)68-35-70-50(60)5-2;;;;;;;;/h3-12,21-26,39-40,43-46H,1-2,13-20,27-38H2,(H,66,67);4-10,27-28,35-36,39-42,44-47H,1-3,11-26,29-34,37-38H2;4-9,26-27,32-33,36-39,41-44H,1-2,10-25,28-31,34-35H2,3H3;8*1H4/b65-40+;60-36+;56-33+;;;;;;;;.
What are the key properties of 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane?
4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane has a molecular weight of 3563.18 g/mol, XLogP of 30.52, 85 rotatable bonds, 1 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-(2-methoxyethoxy)ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;4-O-[3-[(E)-[1,3-benzothiazol-2-yl-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]hydrazinylidene]methyl]-4-[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexanecarbonyl]oxyphenyl] 1-O-[4-(prop-2-enoyloxymethoxy)cyclohexyl] cyclohexane-1,4-dicarboxylate;methane is sourced from PubChem (CID 172949232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).