Catalog Number:
AG0035IK
Chemical Name:
Potassium Indigotrisulfonate
CAS Number:
67627-18-3
Molecular Formula:
C16H7K3N2O11S3
Molecular Weight:
616.7235
MDL Number:
MFCD00013160
IUPAC Name:
tripotassium;3-hydroxy-2-(3-oxo-5-sulfonatoindol-2-yl)-1H-indole-5,7-disulfonate
InChI:
InChI=1S/C16H10N2O11S3.3K/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29;;;/h1-5,18,20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
InChI Key:
BANKRXMWIUVRAN-UHFFFAOYSA-K
SMILES:
O=C1c2cc(ccc2N/C/1=C\1/Nc2c(C1=O)cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+]
EC Number:
249-102-9
UNII:
5ZZA8N0ABT
