1-Amino-4-[[4-[[3-[(2-Chloroethyl)Sulphonyl]Benzoyl]Methylamino]-2-Sulphophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid, Sodium Salt
[CAS# 85536-89-6]

Identification

• Name: 1-Amino-4-[[4-[[3-[(2-Chloroethyl)Sulphonyl]Benzoyl]Methylamino]-2-Sulphophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonic Acid, Sodium Salt
• Synonyms: Disodium 1-Amino-4-[[4-[[3-(2-Chloroethylsulfonyl)Benzoyl]-Methyl-Amino]-2-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[4-[[[3-(2-Chloroethylsulfonyl)Phenyl]-Oxomethyl]-Methylamino]-2-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[4-[[3-(2-Chloroethylsulfonyl)Benzoyl]-Methyl-Amino]-2-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₀H₂₂ClN₃Na₂O₁₁S₃
• Molecular Weight: 778.13
• CAS Registry Number: 85536-89-6
• EINECS: 287-576-9
• SMILES: C1=C([S]([O-])(=O)=O)C(=C4C(=C1NC3=CC=C(N(C(=O)C2=CC=CC(=C2)[S](=O)(=O)CCCl)C)C=C3[S]([O-])(=O)=O)C(=O)C5=C(C4=O)C=CC=C5)N.[Na+].[Na+]
• InChI: 1S/C30H24ClN3O11S3.2Na/c1-34(30(37)16-5-4-6-18(13-16)46(38,39)12-11-31)17-9-10-21(23(14-17)47(40,41)42)33-22-15-24(48(43,44)45)27(32)26-25(22)28(35)19-7-2-3-8-20(19)29(26)36;;/h2-10,13-15,33H,11-12,32H2,1H3,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2
• InChIKey: UGUZURVSPLYQQJ-UHFFFAOYSA-L