Sodium 2-[1-Carboxy-5-(Nonanoylamino)-3-Pentanyl]Benzenesulfonate
[CAS# 168151-92-6]

Identification

• Name: Sodium 2-[1-Carboxy-5-(Nonanoylamino)-3-Pentanyl]Benzenesulfonate
• Molecular Formula: C₂₁H₃₂NNaO₆S
• Molecular Weight: 449.54
• CAS Registry Number: 168151-92-6
• SMILES: CCCCCCCCC(=O)NCCC(CCC(=O)O)c1ccccc1S(=O)(=O)[O-].[Na+]
• InChI: 1S/C21H33NO6S.Na/c1-2-3-4-5-6-7-12-20(23)22-16-15-17(13-14-21(24)25)18-10-8-9-11-19(18)29(26,27)28;/h8-11,17H,2-7,12-16H2,1H3,(H,22,23)(H,24,25)(H,26,27,28);/q;+1/p-1
• InChIKey: JKISKQRRSBVSEZ-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)