Erioglaucine disodium salt

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Catalog Number
ACM3844459
Product Name
Erioglaucine disodium salt
Structure
Structure
CAS
3844-45-9
Category
Heterocyclic Organic Compound
Synonyms
Dolkwalbrilliantblue
IUPAC Name
Disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
Molecular Weight
772.88
Molecular Formula
C37H37N2NaO9S3
Canonical SMILES
CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
InChI Key
SGHZXLIDFTYFHQ-UHFFFAOYSA-L
Melting Point
283 °C(lit.)
Density
0.65 g/cm³
Solubility
Soluble in ether
Appearance
Powder
Storage
2-8 °C
Complexity
1510
Exact Mass
792.12218275
Hazard Statements
Xn
Monoisotopic Mass
792.12218275
Safety Description
24/25
Supplemental Hazard Statements
H412
Topological Polar Surface Area
203 Ų
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