2-((8-(6-(Hydroxymethyl)-2,6-Dimethyl-3-Oxo-1-Cyclohexen-1-Yl)-2,6-Dimethyl-1-Oxo-5,7-Octadienyl)Amino)-Ethanesulfonic Acid
[CAS# 81957-68-8]

Identification

• Name: 2-((8-(6-(Hydroxymethyl)-2,6-Dimethyl-3-Oxo-1-Cyclohexen-1-Yl)-2,6-Dimethyl-1-Oxo-5,7-Octadienyl)Amino)-Ethanesulfonic Acid
• Synonyms: 2-[[8-[6-(Hydroxymethyl)-2,6-Dimethyl-3-Oxo-1-Cyclohexenyl]-2,6-Dimethylocta-5,7-Dienoyl]Amino]Ethanesulfonic Acid; 2-[[(5E,7E)-8-[6-(Hydroxymethyl)-2,6-Dimethyl-3-Oxo-1-Cyclohexenyl]-2,6-Dimethyl-Octa-5,7-Dienoyl]Amino]Ethanesulfonic Acid; 2-[[8-[6-(Hydroxymethyl)-2,6-Dimethyl-3-Oxo-1-Cyclohexenyl]-2,6-Dimethyl-Octa-5,7-Dienoyl]Amino]Ethanesulfonic Acid
• Molecular Formula: C₂₁H₃₃NO₆S
• Molecular Weight: 427.55
• CAS Registry Number: 81957-68-8
• SMILES: C(O)C1(C(=C(C(=O)CC1)C)\C=C\C(=C\CCC(C(=O)NCC[S](=O)(=O)O)C)C)C
• InChI: 1S/C21H33NO6S/c1-15(6-5-7-16(2)20(25)22-12-13-29(26,27)28)8-9-18-17(3)19(24)10-11-21(18,4)14-23/h6,8-9,16,23H,5,7,10-14H2,1-4H3,(H,22,25)(H,26,27,28)/b9-8+,15-6+
• InChIKey: BOVLETMKONPOKL-PVLPBTDDSA-N

Properties

• Density: 1.215g/cm³ (Cal.)