Disodium 1-Amino-4-[4-[(Chloroacetyl)Amino]-3-Sulphonatoanilino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 67875-10-9]

Identification

• Name: Disodium 1-Amino-4-[4-[(Chloroacetyl)Amino]-3-Sulphonatoanilino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Disodium 1-Amino-4-[[4-[(2-Chloroacetyl)Amino]-3-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[4-[(2-Chloro-1-Oxoethyl)Amino]-3-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[4-[(2-Chloroacetyl)Amino]-3-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₂H₁₄ClN₃Na₂O₉S₂
• Molecular Weight: 609.92
• CAS Registry Number: 67875-10-9
• EINECS: 267-524-1
• SMILES: C2=C(NC1=CC=C(NC(=O)CCl)C(=C1)[S]([O-])(=O)=O)C4=C(C(=C2[S]([O-])(=O)=O)N)C(=O)C3=CC=CC=C3C4=O.[Na+].[Na+]
• InChI: 1S/C22H16ClN3O9S2.2Na/c23-9-17(27)26-13-6-5-10(7-15(13)36(30,31)32)25-14-8-16(37(33,34)35)20(24)19-18(14)21(28)11-3-1-2-4-12(11)22(19)29;;/h1-8,25H,9,24H2,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
• InChIKey: JNWAORGDZSHRHU-UHFFFAOYSA-L