2-[[(Z)-Octadec-9-Enoyl]Amino]Ethanesulfonic Acid
[CAS# 52514-04-2]

Identification

• Name: 2-[[(Z)-Octadec-9-Enoyl]Amino]Ethanesulfonic Acid
• Synonyms: 2-[[(Z)-1-Oxooctadec-9-Enyl]Amino]Ethanesulfonic Acid; Oleoyltaurine
• Molecular Formula: C₂₀H₃₉NO₄S
• Molecular Weight: 389.59
• CAS Registry Number: 52514-04-2
• EINECS: 257-985-7
• SMILES: C(\C=C/CCCCCCCC(=O)NCC[S](=O)(=O)O)CCCCCCC
• InChI: 1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25)/b10-9-
• InChIKey: KOGRJTUIKPMZEJ-KTKRTIGZSA-N

Properties

• Density: 1.034g/cm³ (Cal.)