Congesteze
[CAS# 98267-72-2]

Identification

• Name: Congesteze
• Synonyms: Congestan; Congesteze
• Molecular Formula: C₄₈H₆₀N₄O₁₄S
• Molecular Weight: 949.08
• CAS Registry Number: 98267-72-2
• SMILES: N3=C2C(C1=CC=CC=C1CCC2=CC=C3)=C4CCN(CC4)C.[C@@H](NC)(C(O)C5=CC=CC=C5)C.[C@@H](NC)(C(O)C6=CC=CC=C6)C.O=[S]([O-])([O-])=O.O=C(O)\C=C/C(=O)O.O=C(O)\C=C/C(=O)O
• InChI: 1S/C20H22N2.2C10H15NO.2C4H4O4.H2O4S/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*1-8(11-2)10(12)9-6-4-3-5-7-9;2*5-3(6)1-2-4(7)8;1-5(2,3)4/h2-7,12H,8-11,13-14H2,1H3;2*3-8,10-12H,1-2H3;2*1-2H,(H,5,6)(H,7,8);(H2,1,2,3,4)/p-2/b;;;2*
• InChIKey: BCUARYVJCUPSFR-JJGFCBOSSA-L

Properties

• Boiling point: 450.1°C at 760 mmHg (Cal.)
• Flash point: 226°C (Cal.)