1-Amino-4-[(3-Amino-2-Methyl-5-Sulphophenyl)Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid
[CAS# 25956-35-8]

Identification

• Name: 1-Amino-4-[(3-Amino-2-Methyl-5-Sulphophenyl)Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid
• Synonyms: 1-Amino-4-[(3-Amino-2-Methyl-5-Sulfo-Phenyl)Amino]-9,10-Dioxo-Anthracene-2-Sulfonic Acid; 1-Amino-4-[(3-Amino-2-Methyl-5-Sulfophenyl)Amino]-9,10-Dioxo-2-Anthracenesulfonic Acid; 1-Amino-4-[(3-Amino-2-Methyl-5-Sulfo-Phenyl)Amino]-9,10-Diketo-Anthracene-2-Sulfonic Acid
• Molecular Formula: C₂₁H₁₇N₃O₈S₂
• Molecular Weight: 503.50
• CAS Registry Number: 25956-35-8
• EINECS: 247-369-6
• SMILES: C2=C(NC1=C(C(=CC(=C1)[S](=O)(=O)O)N)C)C3=C(C(=C2[S](=O)(=O)O)N)C(=O)C4=C(C3=O)C=CC=C4
• InChI: 1S/C21H17N3O8S2/c1-9-13(22)6-10(33(27,28)29)7-14(9)24-15-8-16(34(30,31)32)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)
• InChIKey: QESOMBMPKAMMLJ-UHFFFAOYSA-N

Properties

• Density: 1.727g/cm³ (Cal.)