fd&c red no. 7 (c.i. 15850)

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :calcium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate
InChI :InChI=1/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2
Std.InChI: InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2
InChIKey :PZTQVMXMKVTIRC-LGRYAOMWBK
Std.InChIKey: PZTQVMXMKVTIRC-UHFFFAOYSA-L
SMILES :CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Ca+2]