M8391

Methyl Purple

• Synonym(s): Methyl Purple indicator solution
• Empirical Formula (Hill Notation): C₆₇H₆₂N₈Na₄O₁₄S₃
• CAS Number: 1340-02-9
• Molecular Weight: 1391.41
• MDL number: MFCD00070843
• UNSPSC Code: 12171500

Properties

• SMILES string: CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O[Na].CN(C)c3ccc(cc3)N=Nc4ccccc4C(=O)O[Na].CCN(Cc5cccc(c5)S(=O)(=O)O[Na])c6ccc(cc6)C(=C7/C=CC(C=C7)=[N+](CC)Cc8cccc(c8)S([O-])(=O)=O)\c9ccc(O)cc9S(=O)(=O)O[Na]
• InChI: 1S/C37H36N2O10S3.2C15H15N3O2.4Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;2*1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;;;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);2*3-10H,1-2H3,(H,19,20);;;;/q;;;4*+1/p-4/b;2*17-16+;;;;
• InChI key: CNJVTYXLOYTWPD-HFZRWZJVSA-J