| CAS Number | 654080-03-2 |
| Catalog Number | AG01ENIK(AGN-PC-0TGK55) |
| Chemical Name | 2-[5-[[6-[5-(1,1-Dimethylethyl)-2-benzoxazolyl]-2-naphthalenyl]oxy]pentyl]propanedioicaciddisodiumsalt |
| IUPAC Name | disodium;2-[5-[6-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioate |
| InChI | InChI=1S/C29H31NO6.2Na/c1-29(2,3)21-11-13-25-24(17-21)30-26(36-25)20-9-8-19-16-22(12-10-18(19)15-20)35-14-6-4-5-7-23(27(31)32)28(33)34;;/h8-13,15-17,23H,4-7,14H2,1-3H3,(H,31,32)(H,33,34);;/q;2*+1/p-2 |
| InChI Key | YYTGMMYYLGKWIK-UHFFFAOYSA-L |
| MDL Number | MFCD17167041 |
| Molecular Formula | C29H29NNa2O6 |
| Molecular Weight | 533.5232 |
| SMILES | C(O[Na])(=O)C(CCCCCOC1=CC=C2C(=C1)C=CC(C1=NC3=CC(C(C)(C)C)=CC=C3O1)=C2)C(O[Na])=O |
| Synonyms | SK-216,
sk-216,
654080-03-2,
|
| Complexity | 726 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 533.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 533.532g/mol |
| Monoisotopic Mass | 533.179g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number