Catalog Number:
AG009BL2
Chemical Name:
Fuchsin S calcium salt
CAS Number:
136132-76-8
Molecular Formula:
C20H17CaN3O9S3
Molecular Weight:
579.6367
MDL Number:
MFCD00001654
IUPAC Name:
calcium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate
InChI:
InChI=1S/C20H19N3O9S3.Ca/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+2/p-2
InChI Key:
ALSOAESJQVWXBZ-UHFFFAOYSA-L
SMILES:
Cc1cc(cc(c1N)S(=O)(=O)[O-])/C(=C\1/C=CC(=N)C(=C1)S(=O)(=O)O)/c1ccc(c(c1)S(=O)(=O)[O-])N.[Ca+2]
