About [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate (PubChem CID 172953220) has the molecular formula C180H181N9O52S3
and a molecular weight of 3398.64 g/mol. Its IUPAC name is [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate.
Frequently Asked Questions
What is the IUPAC name of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate?
The IUPAC name of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate (CID 172953220) is [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate.
What is the SMILES notation for [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate?
The canonical SMILES for [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate is C=CC(=O)OCC(COC(=O)/C=C/c1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(/C=C/C(=O)OCC(COC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1)OC(=O)C=C.C=CC(=O)OCCCCOCC(COc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)/C=C/c3ccc(OCC(COCCCCOC(=O)C=C)OC(=O)C=C)cc3)c(/C=N/Nc3nc4ccccc4s3)c2)cc1)OC(=O)C=C.C=CC(=O)OCCCCOCC(COc1ccc(OC(=O)C2CCC(C(=O)OCCc3ccc(OC(=O)C4CCC(C(=O)Oc5ccc(OCC(COCCCCOC(=O)C=C)OC(=O)C=C)cc5)CC4)c(/C=N/Nc4nc5ccccc5s4)c3)CC2)cc1)OC(=O)C=C.
What is the InChIKey of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate?
The InChIKey is MSSPBENKTFQYKS-PZJFPKJNSA-N. The full InChI is InChI=1S/C70H79N3O20S.C58H59N3O16S.C52H43N3O16S/c1-5-62(74)84-38-13-11-36-82-43-57(89-64(76)7-3)45-87-53-26-30-55(31-27-53)91-67(79)49-20-18-48(19-21-49)66(78)86-40-35-47-17-34-60(52(41-47)42-71-73-70-72-59-15-9-10-16-61(59)94-70)93-69(81)51-24-22-50(23-25-51)68(80)92-56-32-28-54(29-33-56)88-46-58(90-65(77)8-4)44-83-37-12-14-39-85-63(75)6-2;1-5-52(62)70-33-13-11-31-68-37-47(75-54(64)7-3)39-72-44-23-17-41(18-24-44)21-29-56(66)74-46-27-28-50(43(35-46)36-59-61-58-60-49-15-9-10-16-51(49)78-58)77-57(67)30-22-42-19-25-45(26-20-42)73-40-48(76-55(65)8-4)38-69-32-12-14-34-71-53(63)6-2;1-5-44(56)64-29-39(68-46(58)7-3)31-66-48(60)25-17-33-13-19-35(20-14-33)50(62)70-38-23-24-42(37(27-38)28-53-55-52-54-41-11-9-10-12-43(41)72-52)71-51(63)36-21-15-34(16-22-36)18-26-49(61)67-32-40(69-47(59)8-4)30-65-45(57)6-2/h5-10,15-17,26-34,41-42,48-51,57-58H,1-4,11-14,18-25,35-40,43-46H2,(H,72,73);5-10,15-30,35-36,47-48H,1-4,11-14,31-34,37-40H2,(H,60,61);5-28,39-40H,1-4,29-32H2,(H,54,55)/b71-42+;29-21+,30-22+,59-36+;25-17+,26-18+,53-28+.
What are the key properties of [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate?
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate has a molecular weight of 3398.64 g/mol, XLogP of 26.50, 99 rotatable bonds, 3 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoyl]oxyphenyl] 4-[(E)-3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxoprop-1-enyl]benzoate;1-O-[2-[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenoxy]carbonylcyclohexanecarbonyl]oxyphenyl]ethyl] 4-O-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate;[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[(E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-[2-prop-2-enoyloxy-3-(4-prop-2-enoyloxybutoxy)propoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 172953220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).