Nsc270722
1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene-11-sulfonic acid
Also Known As: 1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-(4ac,4bc,8ac,12bc)-|2-NAPHTHALENESULFONIC ACID-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT|1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-sulfonic acid|1,4,5,6,7,16,17,18,19,19,20,20-Dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene-11-sulfonic acid
| Molecular Formula | C20H8Cl12O3S |
|---|---|
| Molecular Weight | 747.6456 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 747.6456 |
| Monoisotopic Mass | 747.6456 |
| Heavy Atoms | 36 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 67326-70-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)O)C3C(C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | VOMSORYMYIPQON-UHFFFAOYSA-N |
Product Overview
Nsc270722 (CAS 67326-70-9), with molecular formula C20H8Cl12O3S and molecular weight 747.6456 g/mol. IUPAC: 1,4,5,6,7,16,17,18,19,19,20,20-dodecachlorohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene-11-sulfonic acid.
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