MF: C18H12CaN2O6S
MW: 424.4 g/mol
IUPAC Name: calcium 5-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-2-methylbenzenesulfonate
SMILES: CC1=C(C=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Ca+2]
InChIKey: QFYZSQMFUKQGSE-UHFFFAOYSA-L
InChI: InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-12(9-15(10)27(24,25)26)19-20-16-13-5-3-2-4-11(13)8-14(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2

