AC1L8P2Y
1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-methylhexacyclo[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: 3-METHYL-2-NAPHTHALENESULFONIC ACID-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT|3-METHYL-2-NAPHTHALENESULFONIC ACID-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT, CA|1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-11-methyl-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-Dodecachloro-12-methylhexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9(14),10,12,17-pentaene-11-sulfonic acid
| Molecular Formula | C21H10Cl12O3S |
|---|---|
| Molecular Weight | 761.6613 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 761.6613 |
| Monoisotopic Mass | 761.6613 |
| Heavy Atoms | 37 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 67102-96-9 |
|---|---|
| SMILES | CC1=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 | CPOACDLLNDIBSL-UHFFFAOYSA-N |
Product Overview
AC1L8P2Y (CAS 67102-96-9), with molecular formula C21H10Cl12O3S and molecular weight 761.6613 g/mol. IUPAC: 1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-methylhexacyclo[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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