5-Amino-6-{[(3-Aminophenyl)Sulfonyl]Amino}-1,3-Naphthalenedisulfonic Acid
[CAS# 454705-71-6]

Identification

• Name: 5-Amino-6-{[(3-Aminophenyl)Sulfonyl]Amino}-1,3-Naphthalenedisulfonic Acid
• Synonyms: 1,3-Naphthalenedisulfonic acid, 5-amino-6-[[(3-aminophenyl)sulfonyl]amino]-
• Molecular Formula: C₁₆H₁₅N₃O₈S₃
• Molecular Weight: 473.50
• CAS Registry Number: 454705-71-6
• SMILES: Nc1cccc(c1)S(=O)(=O)Nc3ccc2c(cc(cc2c3N)S(O)(=O)=O)S(O)(=O)=O
• InChI: 1S/C16H15N3O8S3/c17-9-2-1-3-10(6-9)28(20,21)19-14-5-4-12-13(16(14)18)7-11(29(22,23)24)8-15(12)30(25,26)27/h1-8,19H,17-18H2,(H,22,23,24)(H,25,26,27)
• InChIKey: JCVHPZXKNSDQKC-UHFFFAOYSA-N

Properties

• Density: 1.802g/cm³ (Cal.)
• Refractive index: 1.772 (Cal.)