Food Red No. 3 aluminum lake

C₆₀H₁₈Al₂I₁₂O₁₅CAS 12227-78-02555.61 g/mol

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Aryl halide Ester Ether Lactone Phenol

Properties

Molecular formula: C₆₀H₁₈Al₂I₁₂O₁₅
Molar mass: 2555.61 g/mol
Exact mass: 2554.8813 Da
logP: 5.70Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 0

Identifiers

CAS number

12227-78-0

SMILES

[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C23OC(=O)c2ccccc32)c1I.[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C23OC(=O)c2ccccc32)c1I.[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C23OC(=O)c2ccccc32)c1I.[Al+3].[Al+3]

InChIKey

OHIANNHOPJYTOK-UHFFFAOYSA-N

InChI

InChI=1S/C20H8I4O5.Al/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;/h1-6,25-26H;

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Names and synonyms

16 names · show all

Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, aluminum salt (3:2)
C.I. Pigment red 172
Certolake erythrosine
C.I. Food red 14:1
C.I. Acid red 51:1
C.I. 45430:1
Food red 14:1
11150 Dispersed pink
Japan Food Red No. 3 aluminum lake
Pigment red 172
Acid red 51:1
Ariabel rose 300504
Japan red 3 aluminum lake
Erythrosine aluminum lake
FD&C red no. 3 aluminum lake
Japan red 3AL

Work with Food Red No. 3 aluminum lake

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Erythrosine16423-68-090 % similar Acid red 9533239-19-960 % similar Eosin Y17372-87-155 % similar Rose bengal sodium salt632-69-954 % similar Red 2115086-94-947 % similar Sodium fluorescein518-47-847 % similar Solvent red 72596-03-244 % similar Fluorescein2321-07-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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