Patent Blue V

Also known as Food Blue 5, Sulphan Blue, Acid Blue 3, L-Blau 3, C-Blau 20, Patentblau V, Sky Blue, C.I. 42051

chemical compound

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Formula: C54H62CaN4O14S4
Molecular weight: 1159.4 g/mol
IUPAC name: calcium bis(4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate)
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Ca+2]
InChIKey: RTMBGDBBDQKNNZ-UHFFFAOYSA-L
Polar surface area: 315 Å²
H-bond donors: 2
H-bond acceptors: 16
Formal charge: 0

via PubChem

Show 3 more facts

canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Ca+2]
chemical formula: C₅₄H₆₂CaN₄O₁₄S₄
Commons category: Patent Blue V

Sources (2)

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