| CAS Number | 211561-04-5 |
| Catalog Number | AG003M13(AGN-PC-0QXQD1) |
| Chemical Name | 4-SUlfothiacalix[4]arene sodium salt |
| IUPAC Name | tetrasodium;2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-5,11,17,23-tetrasulfonate |
| InChI | InChI=1S/C24H16O12S8.4Na/c25-41(26,27)21-5-13-1-14(6-21)38-16-3-18(10-23(8-16)43(31,32)33)40-20-4-19(11-24(12-20)44(34,35)36)39-17-2-15(37-13)7-22(9-17)42(28,29)30;;;;/h1-12H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;/q;4*+1/p-4 |
| InChI Key | VCBNKENRQBMHFJ-UHFFFAOYSA-J |
| MDL Number | MFCD06797166 |
| Molecular Formula | C24H12Na4O16S8 |
| Molecular Weight | 904.8216 |
| SMILES | [Na+].[Na+].[Na+].[Na+].OC1=C2SC3=CC(=CC(SC4=CC(=CC(SC5=CC(=CC(SC1=CC(=C2)S(=O)(=O)[O-])=C5O)S(=O)(=O)[O-])=C4O)S(=O)(=O)[O-])=C3O)S(=O)(=O)[O-] |
| Synonyms | 4-Sulfothiacalix[4]arene Sodium Salt,
211561-04-5,
4-SULFOTHIACALIX[4]ARENESODIUMSALT,
|
| Complexity | 1140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 839.768522g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 840.8g/mol |
| Monoisotopic Mass | 839.768522g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 364Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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