13-cis-Acitretin
[CAS# 69427-46-9]

Identification

• Name: 13-cis-Acitretin
• Synonyms: (2Z,4E,6E,8E)-9-(4-Methoxy-2,3,6-Trimethyl-Phenyl)-3,7-Dimethyl-Nona-2,4,6,8-Tetraenoic Acid; 2,4,6,8-Noneatetraenoic Acid, 9-(4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethyl-, (Z,E,E,E)-; Isoacitretin
• Molecular Formula: C₂₁H₂₆O₃
• Molecular Weight: 326.43
• CAS Registry Number: 69427-46-9
• SMILES: C1=C(C(=C(C(=C1C)\C=C\C(=C\C=C\C(=C/C(O)=O)C)C)C)C)OC
• InChI: 1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-
• InChIKey: IHUNBGSDBOWDMA-UGOGCBOOSA-N

Properties

• Density: 1.052g/cm³ (Cal.)
• Boiling point: 521.31°C at 760 mmHg (Cal.)
• Flash point: 180.275°C (Cal.)