1-Amino-4-[[3-[[4-Chloro-6-(4-Sulphophenoxy)-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulphophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid
[CAS# 25965-91-7]

Identification

• Name: 1-Amino-4-[[3-[[4-Chloro-6-(4-Sulphophenoxy)-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulphophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid
• Synonyms: 1-Amino-4-[[3-[[4-Chloro-6-(4-Sulfophenoxy)-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfo-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonic Acid; 1-Amino-4-[[3-[[4-Chloro-6-(4-Sulfophenoxy)-1,3,5-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonic Acid; 1-Amino-4-[[3-[[4-Chloro-6-(4-Sulfophenoxy)-S-Triazin-2-Yl]Amino]-2,4,6-Trimethyl-5-Sulfo-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonic Acid
• Molecular Formula: C₃₂H₂₅ClN₆O₁₂S₃
• Molecular Weight: 817.22
• CAS Registry Number: 25965-91-7
• EINECS: 247-379-0
• SMILES: C1=C([S](=O)(=O)O)C(=C5C(=C1NC2=C(C(=C(C(=C2C)NC3=NC(=NC(=N3)OC4=CC=C([S](=O)(=O)O)C=C4)Cl)C)[S](=O)(=O)O)C)C(=O)C6=C(C5=O)C=CC=C6)N
• InChI: 1S/C32H25ClN6O12S3/c1-13-25(35-20-12-21(53(45,46)47)24(34)23-22(20)27(40)18-6-4-5-7-19(18)28(23)41)14(2)29(54(48,49)50)15(3)26(13)36-31-37-30(33)38-32(39-31)51-16-8-10-17(11-9-16)52(42,43)44/h4-12,35H,34H2,1-3H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,36,37,38,39)
• InChIKey: QECGUTSSKABWFV-UHFFFAOYSA-N

Properties

• Density: 1.728g/cm³ (Cal.)