Basic information
- CAS
93062-68-1- Standard SMILES
Cc1c(C(=O)[O-])c([O-])cc2c1C(=O)c1c([O-])c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])c([O-])c1C2=O.[Al+3].[Ca+2]- InChIKey
NRRCIUMXCVOIJX-ZCRVBCRXSA-I- Molecular formula
- C22H15AlCaO13
- Average molar mass
- 554.4 g/mol
- Monoisotopic mass
- 553.9953948
Names & identifiers
- Preferred name
- Carmine (C.I. 75470) (Technical Grade)
- IUPAC
- aluminum;calcium;1-methyl-3,5,6,8-tetraoxido-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate
- English name
- CALCIUM ALUMINIUM LACQUER WITH CARMINIC ACID
- Molecular formula
- C22H15AlCaO13
- Molecular weight
- 554.41
Names & synonyms
B Rose Liquid; CC 1000WS; Carmine redCarmine (C.I. 75470) (Technical Grade)FS-6914CI 75470Ccris 4511Cochineal solutionCochineal concentrate type pCochineal concentrate type mCochineal concentrate -7-foldCALCIUM ALUMINIUM LACQUER WITH CARMINIC ACID
Database identifiers
- CAS
93062-68-1- PubChem CID
- 102004931
Properties
Computed structural properties
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 2
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 859
Chemistry & industry
Suppliers1 total
E-MERCK[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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