3-[(4,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-1H-Pyrazol-4-Yl)Azo]-N-[4-[[1-[2-[4-(Hexadecyloxy)Phenyl]-4-Methyl-3,6-Dioxocyclohexa-1,4-Dien-1-Yl]Ethyl]Sulphonyl]Phenyl]-4-Methoxybenzenesulphonamide
[CAS# 80396-84-5]

Identification

• Name: 3-[(4,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-1H-Pyrazol-4-Yl)Azo]-N-[4-[[1-[2-[4-(Hexadecyloxy)Phenyl]-4-Methyl-3,6-Dioxocyclohexa-1,4-Dien-1-Yl]Ethyl]Sulphonyl]Phenyl]-4-Methoxybenzenesulphonamide
• Synonyms: N-[4-[1-[2-(4-Hexadecoxyphenyl)-4-Methyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Ethylsulfonyl]Phenyl]-4-Methoxy-3-[(3-Methyl-5-Oxo-1-Phenyl-4H-Pyrazol-4-Yl)Azo]Benzenesulfonamide; N-[4-[1-[2-(4-Cetyloxyphenyl)-3,6-Diketo-4-Methyl-1-Cyclohexa-1,4-Dienyl]Ethylsulfonyl]Phenyl]-3-[(5-Keto-3-Methyl-1-Phenyl-4H-Pyrazol-4-Yl)Azo]-4-Methoxy-Benzenesulfonamide; 3-((4,5-Dihydro-3-Methyl-5-Oxo-1-Phenyl-1H-Pyrazol-4-Yl)Azo)-N-(4-((1-(2-(4-(Hexadecyloxy)Phenyl)-4-Methyl-3,6-Dioxocyclohexa-1,4-Dien-1-Yl)Ethyl)Sulphonyl)Phenyl)-4-Methoxybenzenesulphonamide
• Molecular Formula: C₅₄H₆₅N₅O₉S₂
• Molecular Weight: 992.26
• CAS Registry Number: 80396-84-5
• EINECS: 279-454-9
• SMILES: C3=C([S](=O)(=O)C(C1=C(C(=O)C(=CC1=O)C)C2=CC=C(OCCCCCCCCCCCCCCCC)C=C2)C)C=CC(=C3)N[S](=O)(=O)C4=CC(=C(OC)C=C4)N=NC5C(=O)N(N=C5C)C6=CC=CC=C6
• InChI: 1S/C54H65N5O9S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-68-44-29-25-41(26-30-44)51-50(48(60)36-38(2)53(51)61)40(4)69(63,64)45-31-27-42(28-32-45)58-70(65,66)46-33-34-49(67-5)47(37-46)55-56-52-39(3)57-59(54(52)62)43-23-20-19-21-24-43/h19-21,23-34,36-37,40,52,58H,6-18,22,35H2,1-5H3
• InChIKey: ODKNTYSGNFUPOI-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 1045.497°C at 760 mmHg (Cal.)
• Flash point: 586.096°C (Cal.)