1. Primary Information
| English name: | tetrabenzyl 6-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-16-[(1-sulfanyl-3-sulfanylidene-1H-inden-2-ylidene)methyl]-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaene-3,3,13,13-tetracarboxylate |
| CAS No.: | 90244-84-1 |
| Molecular formula: | C68H42O8S8 |
| Molecular weight: | 1243.6 g/mol |
| SMILES: | C1=CC=C(C=C1)COC(=O)C2(C3=C(C4=C2C5=C(S4)C6=C(S5)C7=C(C6(C(=O)OCC8=CC=CC=C8)C(=O)OCC9=CC=CC=C9)C=C(S7)C=C1C(=S)C2=CC=CC=C2C1=S)SC(=C3)C=C1C(C2=CC=CC=C2C1=S)S)C(=O)OCC1=CC=CC=C1 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100g | 内酯≥30% | 256 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tetrabenzyl 6-[[1,3-bis(sulfanylidene)inden-2-ylidene]methyl]-16-[(1-sulfanyl-3-sulfanylidene-1H-inden-2-ylidene)methyl]-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaene-3,3,13,13-tetracarboxylate
4.2 InChI
InChI=1S/C68H42O8S8/c69-63(73-33-37-17-5-1-6-18-37)67(64(70)74-34-38-19-7-2-8-20-38)49-31-41(29-47-53(77)43-25-13-14-26-44(43)54(47)78)81-57(49)59-51(67)61-62(83-59)52-60(84-61)58-50(32-42(82-58)30-48-55(79)45-27-15-16-28-46(45)56(48)80)68(52,65(71)75-35-39-21-9-3-10-22-39)66(72)76-36-40-23-11-4-12-24-40/h1-32,53,77H,33-36H2
4.3 InChIKey
RQANLSQAFGVHDP-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)COC(=O)C2(C3=C(C4=C2C5=C(S4)C6=C(S5)C7=C(C6(C(=O)OCC8=CC=CC=C8)C(=O)OCC9=CC=CC=C9)C=C(S7)C=C1C(=S)C2=CC=CC=C2C1=S)SC(=C3)C=C1C(C2=CC=CC=C2C1=S)S)C(=O)OCC1=CC=CC=C1
4.5 Isomeric SMILES
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