Indigo Carmine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 59
Total Number of Articles : 53
PubChem 2723854
Molecular Formula

C16H8N2Na2O8S2

SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2

synonyms
  • Indigo carmine
  • 860-22-0
  • Acid Blue 74
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Properties
Property Value
MW 466.4 g/mol
HBD 2
HBA 9
Rotatable Bond Count 1
Exact Mass 465.95174613 g/mol
Monoisotopic Mass 465.95174613 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 3
Complexity 877
xlogp None
Topological Polar Surface Area 197