About [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate (PubChem CID 172964354) has the molecular formula C200H250N8O50S5
and a molecular weight of 3726.54 g/mol. Its IUPAC name is [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate?
The IUPAC name of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate (CID 172964354) is [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate?
The canonical SMILES for [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOC(=O)C1CCC(C(=O)OC2CCC(C(=O)Oc3ccc(OC(=O)C4CCC(OC(=O)C5CCC(C(=O)OCOC(=O)C=C)CC5)CC4)c4c3SC(C(C#N)C#N)S4)CC2)CC1.C=CC(=O)OCOC1CCC(OC(=O)C2CCC(COc3ccc(OCC4CCC(C(=O)OC5CCC(OCOC(=O)C=C)CC5)CC4)c4c3SC(C(C#N)C(=O)OCC)S4)CC2)CC1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3/C=N/N=C3c4ccccc4-c4ccccc43)cc2)cc1.C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(OC(=O)CCc3ccc(OCOC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1.
What is the InChIKey of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate?
The InChIKey is FDPQBHRFQZCTBW-USNWENIVSA-N. The full InChI is InChI=1S/C48H54N2O16S2.C48H34N2O10.C48H63NO14S2.C40H35N3O10S.16CH4/c1-3-38(51)59-25-61-42(53)27-5-9-29(10-6-27)44(55)63-34-17-13-31(14-18-34)46(57)65-36-21-22-37(41-40(36)67-48(68-41)33(23-49)24-50)66-47(58)32-15-19-35(20-16-32)64-45(56)30-11-7-28(8-12-30)43(54)62-26-60-39(52)4-2;1-3-44(51)57-29-55-35-19-15-32(16-20-35)47(53)59-37-23-13-31(14-24-37)39-26-25-38(60-48(54)33-17-21-36(22-18-33)56-30-58-45(52)4-2)27-34(39)28-49-50-46-42-11-7-5-9-40(42)41-10-6-8-12-43(41)46;1-4-41(50)60-28-58-34-15-19-36(20-16-34)62-45(52)32-11-7-30(8-12-32)26-56-39-23-24-40(44-43(39)64-48(65-44)38(25-49)47(54)55-6-3)57-27-31-9-13-33(14-10-31)46(53)63-37-21-17-35(18-22-37)59-29-61-42(51)5-2;1-3-36(44)50-25-48-30-15-9-27(10-16-30)13-21-38(46)52-32-19-20-34(29(23-32)24-41-43-40-42-33-7-5-6-8-35(33)54-40)53-39(47)22-14-28-11-17-31(18-12-28)49-26-51-37(45)4-2;;;;;;;;;;;;;;;;/h3-4,21-22,27-35,48H,1-2,5-20,25-26H2;3-28H,1-2,29-30H2;4-5,23-24,30-38,48H,1-2,6-22,26-29H2,3H3;3-12,15-20,23-24H,1-2,13-14,21-22,25-26H2,(H,42,43);16*1H4/b;49-28+;;41-24+;;;;;;;;;;;;;;;;.
What are the key properties of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate?
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate has a molecular weight of 3726.54 g/mol, XLogP of 41.26, 72 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;4-O-[4-[[2-(dicyanomethyl)-4-[4-[4-(prop-2-enoyloxymethoxycarbonyl)cyclohexanecarbonyl]oxycyclohexanecarbonyl]oxy-1,3-benzodithiol-7-yl]oxycarbonyl]cyclohexyl] 1-O-(prop-2-enoyloxymethyl) cyclohexane-1,4-dicarboxylate;[4-[2-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[4-(prop-2-enoyloxymethoxy)cyclohexyl] 4-[[2-(1-cyano-2-ethoxy-2-oxoethyl)-4-[[4-[4-(prop-2-enoyloxymethoxy)cyclohexyl]oxycarbonylcyclohexyl]methoxy]-1,3-benzodithiol-7-yl]oxymethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 172964354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).