| CAS Number | 947601-85-6 |
| Catalog Number | AG006SBL(AGN-PC-04778I) |
| Chemical Name | Metolachlor ESA Sodium Salt |
| IUPAC Name | sodium;2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonate |
| InChI | InChI=1S/C15H23NO5S.Na/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20;/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20);/q;+1/p-1 |
| InChI Key | MVQVPBMXHBOZJW-UHFFFAOYSA-M |
| MDL Number | MFCD08702644 |
| Molecular Formula | C15H22NNaO5S |
| Molecular Weight | 351.3936 |
| SMILES | [Na+].CCc1cccc(C)c1N(C(C)COC)C(=O)CS(=O)(=O)[O-] |
| Synonyms | Metolachlor ESA sodium salt,
947601-85-6,
DTXSID5051787,
CTK8E9018,
ACM171118095,
RT-013898,
Metolachlor-ethane sulfonic acid (ESA) sodium,
Metolachlor ethane sulfonic acid (ESA) sodium salt,
sodium;2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethanesulfonate,
2-[(2-Ethyl-6-methylphenyl)(2-methoxy-1-methylethyl)-amino]2-oxo-ethanesulfonic acid sodium salt,
Metolachlor esa,
UNII-PK1UG33BNO,
METOLACHLORESASODIUMSALT,
Metolachlor ethanesulfonic acid,
UNII-25I8391P98,
171118-09-5,
2-((2-Ethyl-6-methylphenyl)(2-methoxy-1-methylethyl)amino)-2-oxoethanesulfonic acid,
Ethanesulfonic acid, 2-((2-ethyl-6-methylphenyl)(2-methoxy-1-methylethyl)amino)-2-oxo-,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.393g/mol |
| Monoisotopic Mass | 351.112g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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