N-(Tert-Butyl)-5-[[(Dimethylamino)Sulphonyl]Amino]-4-[[4-[[1-(4,5-Dimethyl-3,6-Dioxo-2-Propylcyclohexa-1,4-Dien-1-Yl)Tetradecyl]Sulphonyl]Phenyl]Azo]-1-Hydroxynaphthalene-2-Sulphonamide
[CAS# 84360-90-7]

Identification

• Name: N-(Tert-Butyl)-5-[[(Dimethylamino)Sulphonyl]Amino]-4-[[4-[[1-(4,5-Dimethyl-3,6-Dioxo-2-Propylcyclohexa-1,4-Dien-1-Yl)Tetradecyl]Sulphonyl]Phenyl]Azo]-1-Hydroxynaphthalene-2-Sulphonamide
• Synonyms: (4E)-N-Tert-Butyl-4-[[4-[1-(4,5-Dimethyl-3,6-Dioxo-2-Propyl-1-Cyclohexa-1,4-Dienyl)Tetradecylsulfonyl]Phenyl]Hydrazono]-5-(Dimethylsulfamoylamino)-1-Oxo-Naphthalene-2-Sulfonamide; (4E)-N-Tert-Butyl-4-[[4-[1-(4,5-Dimethyl-3,6-Dioxo-2-Propyl-1-Cyclohexa-1,4-Dienyl)Tetradecylsulfonyl]Phenyl]Hydrazono]-5-(Dimethylsulfamoylamino)-1-Oxo-2-Naphthalenesulfonamide; (4E)-N-Tert-Butyl-4-[[4-[1-(3,6-Diketo-4,5-Dimethyl-2-Propyl-1-Cyclohexa-1,4-Dienyl)Tetradecylsulfonyl]Phenyl]Hydrazono]-5-(Dimethylsulfamoylamino)-1-Keto-Naphthalene-2-Sulfonamide
• Molecular Formula: C₄₇H₆₇N₅O₉S₃
• Molecular Weight: 942.25
• CAS Registry Number: 84360-90-7
• EINECS: 282-732-2
• SMILES: C2=C([S](=O)(=O)C(CCCCCCCCCCCCC)C1=C(CCC)C(=O)C(=C(C1=O)C)C)C=CC(=C2)N\N=C3\C4=C(C(=O)C(=C3)[S](=O)(=O)NC(C)(C)C)C=CC=C4N[S](=O)(=O)N(C)C
• InChI: 1S/C47H67N5O9S3/c1-10-12-13-14-15-16-17-18-19-20-21-26-40(43-36(23-11-2)44(53)32(3)33(4)45(43)54)62(56,57)35-29-27-34(28-30-35)48-49-39-31-41(63(58,59)51-47(5,6)7)46(55)37-24-22-25-38(42(37)39)50-64(60,61)52(8)9/h22,24-25,27-31,40,48,50-51H,10-21,23,26H2,1-9H3/b49-39+
• InChIKey: OPOJUWAPKVPQPT-WMDAMAIOSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 945.141°C at 760 mmHg (Cal.)
• Flash point: 525.402°C (Cal.)