Disodium 1-Amino-4-[[3-[[3-Chloro-1-Oxo-3-(Phenylsulphonyl)Propyl]Amino]-2-Methyl-5-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 83399-72-8]

Identification

• Name: Disodium 1-Amino-4-[[3-[[3-Chloro-1-Oxo-3-(Phenylsulphonyl)Propyl]Amino]-2-Methyl-5-Sulphonatophenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Disodium 1-Amino-4-[[3-[(3-Chloro-3-Phenylsulfonyl-Propanoyl)Amino]-2-Methyl-5-Sulfonato-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 1-Amino-4-[[3-[(3-Chloro-1-Oxo-3-Phenylsulfonylpropyl)Amino]-2-Methyl-5-Sulfonatophenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Disodium 1-Amino-4-[[3-[(3-Chloro-3-Phenylsulfonyl-Propanoyl)Amino]-2-Methyl-5-Sulfonato-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₀H₂₂ClN₃Na₂O₁₁S₃
• Molecular Weight: 778.13
• CAS Registry Number: 83399-72-8
• EINECS: 280-385-1
• SMILES: C3=C(NC1=C(C(=CC(=C1)[S]([O-])(=O)=O)NC(=O)CC(Cl)[S](=O)(=O)C2=CC=CC=C2)C)C4=C(C(=C3[S]([O-])(=O)=O)N)C(=O)C5=C(C4=O)C=CC=C5.[Na+].[Na+]
• InChI: 1S/C30H24ClN3O11S3.2Na/c1-15-20(11-17(47(40,41)42)12-21(15)34-25(35)14-24(31)46(38,39)16-7-3-2-4-8-16)33-22-13-23(48(43,44)45)28(32)27-26(22)29(36)18-9-5-6-10-19(18)30(27)37;;/h2-13,24,33H,14,32H2,1H3,(H,34,35)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2
• InChIKey: DQRFMIDINUOBPR-UHFFFAOYSA-L