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Indigotetrasulfonate tetrapotassium salt(28699-96-9) IR1
Product NameIndigotetrasulfonate tetrapotassium salt
CAS28699-96-9
Molecular FormulaC16H6N2O14S4.4K.H2O
Molecular Weight752.894
InChIInChI=1S/C16H10N2O14S4.4K.H2O/c19-15-7-1-5(33(21,22)23)3-9(35(27,28)29)11(7)17-13(15)14-16(20)8-2-6(34(24,25)26)4-10(12(8)18-14)36(30,31)32;;;;;/h1-4,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;;;1H2/q;4*+1;/p-4/b14-13+;;;;;
InChIKey NLJAXMLRHHVEJC-ACQMDWLESA-J
SmilesC1(C=C(S(=O)(=O)[O-])C2N/C(=C3/NC4=C(C/3=O)C=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=O)C=2C=1)S(=O)(=O)[O-].[K+].[K+].[K+].[K+].O
