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Merck
CN

M8391

Methyl Purple

Synonym(s):

Methyl Purple indicator solution

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About This Item

Empirical Formula (Hill Notation):
C67H62N8Na4O14S3
CAS Number:
Molecular Weight:
1391.41
UNSPSC Code:
12171500
MDL number:
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InChI key

CNJVTYXLOYTWPD-HFZRWZJVSA-J

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+;;;;

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]

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