CAS 3536-49-0 appears in our catalog under these names: Patent Blue V calcium salt, Patent Blue V calcium salt, 98%, Acid Blue 3 calcium, Patent Blue V calcium salt, Patent Blue V calcium salt (C.I. 42051), 85.00%. Offered by: Chemat Brand, AmBeed, Dr. Ehrenstorfer, GLPBio, Biosynth. Available pack sizes: on request, 25g, 5g, 500g, 100mg, 10mM (in 1ml dmso), 500mg, 100g.
C.I. Acid Blue 3 is a diarylmethane.
Source: ChEBI
| Molecular 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) |
| InChIKey | RTMBGDBBDQKNNZ-UHFFFAOYSA-L |
| 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] |
Computed by PubChem (NCBI)