CALMAGITE TRIETHANOLAMMONIUM
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Product Description
Product
CALMAGITE TRIETHANOLAMMONIUM
CAS
91698-30-5
Formula
C17H14N2O5S.C6H15N; C17H14N2O5S.C6H15NO3
Typical Product Specifications
Molecular weight
459.56
SMILES
N(CCO)(CCO)CCO.c1(cc(c(c2ccccc12)\N=N\c1c(ccc(c1)C)O)O)S(=O)(=O)O
InChI
NOCQPFRKSJKVKW-LTRPLHCISA-N
InChIKey
1S/C17H14N2O5S.C6H15NO3/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24;8-4-1-7(2-5-9)3-6-10/h2-9,20-21H,1H3,(H,22,23,24);8-10H,1-6H2/b19-18+;
Class
CALMAGITE TRIETHANOLAMMONIUM
Product Description
Product
CALMAGITE TRIETHANOLAMMONIUM
CAS
91698-30-5
Formula
C17H14N2O5S.C6H15N; C17H14N2O5S.C6H15NO3
Typical Product Specifications
Molecular weight
459.56
SMILES
N(CCO)(CCO)CCO.c1(cc(c(c2ccccc12)\N=N\c1c(ccc(c1)C)O)O)S(=O)(=O)O
InChI
NOCQPFRKSJKVKW-LTRPLHCISA-N
InChIKey
1S/C17H14N2O5S.C6H15NO3/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24;8-4-1-7(2-5-9)3-6-10/h2-9,20-21H,1H3,(H,22,23,24);8-10H,1-6H2/b19-18+;
Class
