AC1LNZXU
diethyl 3,13-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-8,8-dicarboxylate
Also Known As: Oprea1_249300|AI-942/13332107|Diethyl 3,13-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-8,8-dicarboxylate|4,6-Dihydro-cyclohepta[2,1-b;3,4-b']dithiophene-5,5-dicarboxylic acid diethyl ester|diethyl 4,6-dihydro-5H-cyclohepta[1,2-b:7,6-b']bisthiophene-5,5-dicarboxylate|diethyl 4,6-dihydro-5H-thieno[3',2':6,7]cyclohepta[1,2-b]thiophene-5,5-dicarboxylate
| Molecular Formula | C17H18O4S2 |
|---|---|
| Molecular Weight | 350.06464 g/mol |
| LogP | 3.6878 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.06464 |
| Monoisotopic Mass | 350.06464 |
| Heavy Atoms | 23 |
| Complexity | 666.2888 |
Chemical Identifiers
| CAS Number | 6448-79-9 |
|---|---|
| SMILES | CCOC(=O)C1(CC2=C(C3=C(C1)C=CS3)SC=C2)C(=O)OCC |
Product Overview
AC1LNZXU (CAS 6448-79-9), with molecular formula C17H18O4S2 and molecular weight 350.06464 g/mol. IUPAC: diethyl 3,13-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-8,8-dicarboxylate.
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