Contralume ultra
[CAS# 156586-95-7]

Identification

• Name: Contralume ultra
• Synonyms: 1-(4-Tert-Butylphenyl)-3-(4-Methoxyphenyl)Propane-1,3-Dione; 2-Phenyl-3H-Benzimidazole-5-Sulfonic Acid; (3Z)-1,7,7-Trimethyl-3-(P-Tolylmethylene)Norbornan-2-One; 1-(4-Tert-Butylphenyl)-3-(4-Methoxyphenyl)Propane-1,3-Dione; 2-Phenyl-3H-Benzimidazole-5-Sulfonic Acid; (3Z)-1,7,7-Trimethyl-3-(P-Tolylmethylene)-2-Norbornanone
• Molecular Formula: C₅₁H₅₄N₂O₇S
• Molecular Weight: 839.06
• CAS Registry Number: 156586-95-7
• SMILES: C2=C1[NH]C(=NC1=CC=C2[S](=O)(=O)O)C3=CC=CC=C3.C6=C(/C=C4/C5C(C(C4=O)(CC5)C)(C)C)C=CC(=C6)C.C(C(=O)C7=CC=C(C(C)(C)C)C=C7)C(=O)C8=CC=C(OC)C=C8
• InChI: 1S/C20H22O3.C18H22O.C13H10N2O3S/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15;1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3;16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h5-12H,13H2,1-4H3;5-8,11,15H,9-10H2,1-4H3;1-8H,(H,14,15)(H,16,17,18)/b;14-11-
• InChIKey: IGCZXBMWUOSPTO-CKWHXWLXSA-N

Properties

• Boiling point: 463.6°C at 760 mmHg (Cal.)
• Flash point: 203.1°C (Cal.)