Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C18H12CaN2O6S
- Molecular weight
- 424.4 g/mol
- IUPAC name
- calcium (4Z)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate
- SMILES
- CC1=CC(=C(C=C1)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)[O-])S(=O)(=O)[O-].[Ca+2]
- InChIKey
- WANIKCLUTOABTP-LRZQPWDCSA-L
- Polar surface area
- 147 Ų
- H-bond donors
- 1
- H-bond acceptors
- 8
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 424.00419808399994
- Has use
- food additive
Show 4 more facts
- canonical SMILES
- CC1=CC=C(C(=C1)S(=O)(=O)[O-])N=NC2=C3C=CC=CC3=CC(=C2O)C(=O)[O-].[Ca+2]
- isomeric SMILES
- CC1=CC=C(C(=C1)S(=O)(=O)[O-])/N=N/C2=C3C=CC=CC3=CC(=C2O)C(=O)[O-].[Ca+2]
- chemical formula
- C₁₈H₁₂CaN₂O₆S
- Commons category
- Lithol Rubine BK
Sources (2)
via Wikidata · CC0