Sodium 1-Amino-4-[[3-[(Benzoylamino)Methyl]-2,4,6-Trimethylphenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 67827-60-5]

Identification

• Name: Sodium 1-Amino-4-[[3-[(Benzoylamino)Methyl]-2,4,6-Trimethylphenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Sodium 1-Amino-4-[[3-[(Benzoylamino)Methyl]-2,4,6-Trimethyl-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Sodium 1-Amino-9,10-Dioxo-4-[[2,4,6-Trimethyl-3-[[(Oxo-Phenylmethyl)Amino]Methyl]Phenyl]Amino]-2-Anthracenesulfonate; Sodium 1-Amino-4-[[3-[(Benzoylamino)Methyl]-2,4,6-Trimethyl-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₁H₂₆N₃NaO₆S
• Molecular Weight: 591.61
• CAS Registry Number: 67827-60-5
• EINECS: 267-224-0
• SMILES: C1=C([S]([O-])(=O)=O)C(=C4C(=C1NC2=C(C(=C(C=C2C)C)CNC(=O)C3=CC=CC=C3)C)C(=O)C5=C(C4=O)C=CC=C5)N.[Na+]
• InChI: 1S/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1
• InChIKey: OFHDOLUPOLKDSG-UHFFFAOYSA-M