4-[[9,10-Dihydro-4-(Methylamino)-9,10-Dioxo-1-Anthryl]Amino]Toluene-3-Sulphonic Acid
[CAS# 67893-47-4]

Identification

• Name: 4-[[9,10-Dihydro-4-(Methylamino)-9,10-Dioxo-1-Anthryl]Amino]Toluene-3-Sulphonic Acid
• Synonyms: 5-Methyl-2-[(4-Methylamino-9,10-Dioxo-1-Anthryl)Amino]Benzenesulfonic Acid; 2-[(9,10-Diketo-4-Methylamino-1-Anthryl)Amino]-5-Methyl-Benzenesulfonic Acid; 5-Methyl-2-[(4-Methylamino-9,10-Dioxo-Anthracen-1-Yl)Amino]Benzenesulfonic Acid
• Molecular Formula: C₂₂H₁₈N₂O₅S
• Molecular Weight: 422.45
• CAS Registry Number: 67893-47-4
• EINECS: 267-621-9
• SMILES: C1=CC(=C3C(=C1NC2=C(C=C(C)C=C2)[S](=O)(=O)O)C(C4=C(C3=O)C=CC=C4)=O)NC
• InChI: 1S/C22H18N2O5S/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25/h3-11,23-24H,1-2H3,(H,27,28,29)
• InChIKey: XPKVNPZDTLYFGX-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)