1. Primary Information
| English name: | [2-[(1,3-Benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-[1,2-di(prop-2-enoyloxy)ethoxy]benzoate;(2,4-dimethylphenyl) 7-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;(4-methoxy-2-methylphenyl) 3-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxybenzoate |
| CAS No.: | 8002-75-3 |
| Molecular formula: | C134H125N9O32S3 |
| Molecular weight: | 2469.7 g/mol |
| SMILES: | CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(COC(=O)C=C)OC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4.CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC(=C(C=C3C=C2)OC(=O)C4=CC=C(C=C4)OCC(COCCCCOC(=O)C=C)OC(=O)CCOC(=O)C=C)C=NNC5=NC6=CC=CC=C6S5)C.CC1=C(C=CC(=C1)OC)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)CCOC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4 |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500ml | - | 152 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylphenyl)phenyl] 4-[1,2-di(prop-2-enoyloxy)ethoxy]benzoate;(2,4-dimethylphenyl) 7-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxynaphthalene-2-carboxylate;(4-methoxy-2-methylphenyl) 3-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-[3-(4-prop-2-enoyloxybutoxy)-2-(3-prop-2-enoyloxypropanoyloxy)propoxy]benzoyl]oxybenzoate
4.2 InChI
InChI=1S/C50H47N3O12S.C46H45N3O13S.C38H33N3O7S/c1-5-45(54)60-23-10-9-22-59-30-40(63-47(56)21-24-61-46(55)6-2)31-62-39-18-16-34(17-19-39)48(57)65-43-28-35-14-15-36(49(58)64-42-20-13-32(3)25-33(42)4)26-37(35)27-38(43)29-51-53-50-52-41-11-7-8-12-44(41)66-50;1-5-41(50)57-23-10-9-22-56-28-36(60-43(52)21-24-58-42(51)6-2)29-59-34-16-13-31(14-17-34)44(53)62-39-19-15-32(45(54)61-38-20-18-35(55-4)25-30(38)3)26-33(39)27-47-49-46-48-37-11-7-8-12-40(37)63-46;1-4-9-25-12-14-26(15-13-25)28-18-21-32(29(22-28)23-39-41-38-40-31-10-7-8-11-33(31)49-38)47-37(44)27-16-19-30(20-17-27)46-36(48-35(43)6-3)24-45-34(42)5-2/h5-8,11-20,25-29,40H,1-2,9-10,21-24,30-31H2,3-4H3,(H,52,53);5-8,11-20,25-27,36H,1-2,9-10,21-24,28-29H2,3-4H3,(H,48,49);5-8,10-23,36H,2-4,9,24H2,1H3,(H,40,41)
4.3 InChIKey
KFBQUDUCBSYVRT-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(COC(=O)C=C)OC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4.CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC(=C(C=C3C=C2)OC(=O)C4=CC=C(C=C4)OCC(COCCCCOC(=O)C=C)OC(=O)CCOC(=O)C=C)C=NNC5=NC6=CC=CC=C6S5)C.CC1=C(C=CC(=C1)OC)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)CCOC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4
4.5 Isomeric SMILES
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