Bleu patente V
Product Code
FPC0190
CAS Number
Product Format
Neat
Molecular Formula
2 C27 H31 N2 O7 S2 . Ca
Molecular Weight
1159.43
API Family
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Product Type
APIPrice and availability
Documentation
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Product Information
Product Data
Analyte Name
Acid Blue 3 calcium salt
CAS Number
3536-49-0
Molecular Formula
2 C27 H31 N2 O7 S2 . Ca
Molecular Weight
1159.43
Accurate Mass
1158.2771
SMILES
[Ca+2].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(O)c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-].CCN(CC)c4ccc(cc4)C(=C5C=CC(=[N+](CC)CC)C=C5)c6cc(O)c(cc6S(=O)(=O)[O-])S(=O)(=O)[O-]
InChI
/q, , +2/p-2, /h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36), InChI=1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33
IUPAC
calcium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
Storage & Transport Information
Storage Temperature
2-8C Fridge/Coldroom
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Product Attributes
Product Type
API
Product Format
Neat
API Family
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