Sodium 4-[[6'-[(2,4-Dimethylphenyl)Amino]-1,1-Dioxidospiro[Benzo[c]Oxathiole-3,9'-Xanthene]-3'-Yl]Amino]-2,3-Dimethylbenzenesulfonic Acid
[CAS# 72139-04-9]

Identification

• Name: Sodium 4-[[6'-[(2,4-Dimethylphenyl)Amino]-1,1-Dioxidospiro[Benzo[c]Oxathiole-3,9'-Xanthene]-3'-Yl]Amino]-2,3-Dimethylbenzenesulfonic Acid
• Synonyms: Sodium 4-[[6'-[(2,4-Dimethylphenyl)Amino]-1,1-Dioxido-Spiro[Benzo[C]Oxathiole-3,9'-Xanthene]-3'-Yl]Amino]-2,3-Dimethyl-Benzenesulfonic Acid; Sodium 4-[[6'-[(2,4-Dimethylphenyl)Amino]-1,1-Dioxido-3'-Spiro[Benzo[C]Oxathiole-3,9'-Xanthene]Yl]Amino]-2,3-Dimethylbenzenesulfonic Acid; Sodium 4-[[6'-[(2,4-Dimethylphenyl)Amino]-1,1-Dioxido-Spiro[Benzo[C][1,2]Oxathiole-3,9'-Xanthene]-3'-Yl]Amino]-2,3-Dimethyl-Benzenesulfonic Acid
• Molecular Formula: C₃₅H₃₀N₂NaO₇S₂
• Molecular Weight: 677.74
• CAS Registry Number: 72139-04-9
• EINECS: 276-362-0
• SMILES: [S]1(OC3(C2=CC=CC=C12)C7=C(OC4=C3C=CC(=C4)NC5=CC=C(C=C5C)C)C=C(NC6=CC=C([S](=O)(=O)O)C(=C6C)C)C=C7)([O-])[O-].[Na+]
• InChI: 1S/C35H32N2O7S2.Na/c1-20-9-14-29(21(2)17-20)36-24-10-12-26-31(18-24)43-32-19-25(37-30-15-16-33(45(38,39)40)23(4)22(30)3)11-13-27(32)35(26)28-7-5-6-8-34(28)46(41,42)44-35;/h5-19,36-37,41-42H,1-4H3,(H,38,39,40);/q;+1/p-2
• InChIKey: KTUFORJJENFAFL-UHFFFAOYSA-L