1-Amino-9,10-Dihydro-4-[[4-[[Methyl[(4-Methylphenyl)Sulphonyl]Amino]Methyl]Phenyl]Amino]-9,10-Dioxoanthracene-2-Sulphonic Acid
[CAS# 18013-23-5]

Identification

• Name: 1-Amino-9,10-Dihydro-4-[[4-[[Methyl[(4-Methylphenyl)Sulphonyl]Amino]Methyl]Phenyl]Amino]-9,10-Dioxoanthracene-2-Sulphonic Acid
• Synonyms: 1-Amino-4-[[4-[[Methyl-(4-Methylphenyl)Sulfonyl-Amino]Methyl]Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonic Acid; 1-Amino-4-[[4-[[Methyl-(4-Methylphenyl)Sulfonylamino]Methyl]Phenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonic Acid; 1-Amino-9,10-Diketo-4-[[4-[[Methyl-(4-Methylphenyl)Sulfonyl-Amino]Methyl]Phenyl]Amino]Anthracene-2-Sulfonic Acid
• Molecular Formula: C₂₉H₂₅N₃O₇S₂
• Molecular Weight: 591.65
• CAS Registry Number: 18013-23-5
• EINECS: 241-918-3
• SMILES: C1=C([S](=O)(=O)O)C(=C4C(=C1NC2=CC=C(C=C2)CN([S](=O)(=O)C3=CC=C(C=C3)C)C)C(=O)C5=C(C4=O)C=CC=C5)N
• InChI: 1S/C29H25N3O7S2/c1-17-7-13-20(14-8-17)40(35,36)32(2)16-18-9-11-19(12-10-18)31-23-15-24(41(37,38)39)27(30)26-25(23)28(33)21-5-3-4-6-22(21)29(26)34/h3-15,31H,16,30H2,1-2H3,(H,37,38,39)
• InChIKey: BUXGNIRDPOLYKO-UHFFFAOYSA-N

Properties

• Density: 1.507g/cm³ (Cal.)