1-Amino-4-[[4-(Benzoylamino)-3-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonic Acid Disodium Salt
[CAS# 4913-28-4]

Identification

• Name: 1-Amino-4-[[4-(Benzoylamino)-3-Sulfophenyl]Amino]-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonic Acid Disodium Salt
• Synonyms: Disodium 1-Amino-4-[[4-(Benzoylamino)-3-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-9,10-Dioxo-4-[[4-[(Oxo-Phenylmethyl)Amino]-3-Sulfonatophenyl]Amino]-2-Anthracenesulfonate; Disodium 1-Amino-4-[[4-(Benzoylamino)-3-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₇H₁₇N₃Na₂O₉S₂
• Molecular Weight: 637.55
• CAS Registry Number: 4913-28-4
• SMILES: C3=C(NC2=CC=C(NC(=O)C1=CC=CC=C1)C(=C2)[S]([O-])(=O)=O)C5=C(C(=C3[S]([O-])(=O)=O)N)C(=O)C4=CC=CC=C4C5=O.[Na+].[Na+]
• InChI: 1S/C27H19N3O9S2.2Na/c28-24-21(41(37,38)39)13-19(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)29-15-10-11-18(20(12-15)40(34,35)36)30-27(33)14-6-2-1-3-7-14;;/h1-13,29H,28H2,(H,30,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2
• InChIKey: PKXUWWYFRJXWSR-UHFFFAOYSA-L