2-[(2-Ethyl-6-Methylphenyl)(1-Methoxy-2-Propanyl)Amino]-2-Oxoethanesulfonic Acid
[CAS# 171118-09-5]

Identification

• Name: 2-[(2-Ethyl-6-Methylphenyl)(1-Methoxy-2-Propanyl)Amino]-2-Oxoethanesulfonic Acid
• Synonyms: 2-[(2-Ethyl-6-methylphenyl)(1-methoxy-2-propanyl)amino]-2-oxoethanesulfonic acid; metolachlor ESA; MS/MS-1006038
• Molecular Formula: C₁₅H₂₃NO₅S
• Molecular Weight: 329.41
• CAS Registry Number: 171118-09-5
• SMILES: O=S(=O)(O)CC(=O)N(c1c(cccc1CC)C)C(COC)C
• InChI: 1S/C15H23NO5S/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)
• InChIKey: CIGKZVUEZXGYSV-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Refractive index: 1.551 (Cal.)