About [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate
[3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate (PubChem CID 172973174) has the molecular formula C235H274N10O48S5
and a molecular weight of 4167.13 g/mol. Its IUPAC name is [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate.
Frequently Asked Questions
What is the IUPAC name of [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate?
The IUPAC name of [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate (CID 172973174) is [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate.
What is the SMILES notation for [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate?
The canonical SMILES for [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate is C=CC(=O)OCCCCCCOc1ccc(OOCC2CCC(C(=O)Oc3ccc(OOCC4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCCCCCCCOC(=O)CSc4nc5ccccc5s4)c4nc5ccccc5s4)c3)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OOCC2CCC(C(=O)Oc3ccc(OOCC4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCCCCCCCOC(=O)Cc4cccc5ccccc45)c4nc5ccccc5s4)c3)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OOCC2CCC(C(=O)Oc3ccc(OOCC4CCC(C(=O)Oc5ccc(OCCCCCCOC(=O)C=C)cc5)CC4)c(/C=N/N(CCCCOC(=O)C4c5ccccc5-c5ccccc54)c4nc5ccccc5s4)c3)CC2)cc1.
What is the InChIKey of [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate?
The InChIKey is OXMOEJVTRLYGNO-KCBWHIQUSA-N. The full InChI is InChI=1S/C80H95N3O16S.C78H87N3O16S.C77H92N4O16S3/c1-3-75(84)91-51-21-11-9-18-49-89-66-38-42-68(43-39-66)96-78(87)62-34-32-60(33-35-62)58-95-99-73-47-46-70(97-79(88)63-36-30-59(31-37-63)57-94-98-69-44-40-67(41-45-69)90-50-19-10-12-22-52-92-76(85)4-2)54-65(73)56-81-83(80-82-72-28-15-16-29-74(72)100-80)48-17-7-5-6-8-20-53-93-77(86)55-64-26-23-25-61-24-13-14-27-71(61)64;1-3-72(82)89-48-18-7-5-16-46-87-60-35-39-62(40-36-60)94-75(84)57-31-29-56(30-32-57)54-93-97-70-44-43-64(95-76(85)58-33-27-55(28-34-58)53-92-96-63-41-37-61(38-42-63)88-47-17-6-8-19-49-90-73(83)4-2)51-59(70)52-79-81(78-80-69-25-13-14-26-71(69)98-78)45-15-20-50-91-77(86)74-67-23-11-9-21-65(67)66-22-10-12-24-68(66)74;1-3-71(82)89-48-21-11-9-18-46-87-61-35-39-63(40-36-61)94-74(85)58-31-29-57(30-32-58)54-93-97-68-44-43-65(95-75(86)59-33-27-56(28-34-59)53-92-96-64-41-37-62(38-42-64)88-47-19-10-12-22-49-90-72(83)4-2)51-60(68)52-78-81(76-79-66-23-13-15-25-69(66)99-76)45-17-7-5-6-8-20-50-91-73(84)55-98-77-80-67-24-14-16-26-70(67)100-77/h3-4,13-16,23-29,38-47,54,56,59-60,62-63H,1-2,5-12,17-22,30-37,48-53,55,57-58H2;3-4,9-14,21-26,35-44,51-52,55-58,74H,1-2,5-8,15-20,27-34,45-50,53-54H2;3-4,13-16,23-26,35-44,51-52,56-59H,1-2,5-12,17-22,27-34,45-50,53-55H2/b81-56+;79-52+;78-52+.
What are the key properties of [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate?
[3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate has a molecular weight of 4167.13 g/mol, XLogP of 50.46, 128 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-[1,3-benzothiazol-2-yl-[8-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;[3-[(E)-[1,3-benzothiazol-2-yl-[8-(2-naphthalen-1-ylacetyl)oxyoctyl]hydrazinylidene]methyl]-4-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]phenyl] 4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate;4-[1,3-benzothiazol-2-yl-[(E)-[2-[[4-[4-(6-prop-2-enoyloxyhexoxy)phenoxy]carbonylcyclohexyl]methylperoxy]-5-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]peroxymethyl]cyclohexanecarbonyl]oxyphenyl]methylideneamino]amino]butyl 9H-fluorene-9-carboxylate is sourced from PubChem (CID 172973174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).