Sodium (2Z)-2-(5-Hydroxy-5,7,8,9-Tetrahydrobenzo[7]Annulen-6-Ylidene)Acetate
[CAS# 131733-92-1]

Identification

• Name: Sodium (2Z)-2-(5-Hydroxy-5,7,8,9-Tetrahydrobenzo[7]Annulen-6-Ylidene)Acetate
• Synonyms: Sodium (2Z)-2-(5-Hydroxy-5,7,8,9-Tetrahydrobenzo[7]Annulen-6-Ylidene)Ethanoate; 6,7,8,9-Tetrahydro-5-(H)-Benzocycloheptene-5-Ol-4-Ylideneacetic Acid; Acetic Acid, (5,7,8,9-Tetrahydro-5-Hydroxy-6H-Benzocyclohepten-6-Ylidene)-, Monosodium Salt
• Molecular Formula: C₁₃H₁₃NaO₃
• Molecular Weight: 240.23
• CAS Registry Number: 131733-92-1
• SMILES: C2=C1C(O)C(/CCCC1=CC=C2)=C\C([O-])=O.[Na+]
• InChI: 1S/C13H14O3.Na/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16;/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15);/q;+1/p-1/b10-8-
• InChIKey: BTWDZCORIHHOPO-DQMXGCRQSA-M

Properties

• Boiling point: 460.8°C at 760 mmHg (Cal.)
• Flash point: 246.6°C (Cal.)