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Sulforhodamine B, acid form

Catalog Number
ACM2609883
Product Name
Sulforhodamine B, acid form
Structure
CAS
2609-88-3
Category
Other Materials
IUPAC Name
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate
Molecular Weight
558.7g/mol
Molecular Formula
C27H30N2O7S2
Canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-]
InChI
InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)
InChI Key
IOOMXAQUNPWDLL-UHFFFAOYSA-N
Purity
98%
Complexity
1170
Covalently-Bonded Unit Count
1
EC Number
222-529-8;220-025-2
Exact Mass
558.149444g/mol
Formal Charge
0
Heavy Atom Count
38
MeSH Entry Terms
Acid Red;acid red, isoxanthene;C.I. 45100;C.I. acid red 52;caries check;erio acid red;kiton red S;lissamine rhodamine B;lissamine rhodamine B, sodium salt;R-106;sulforhodamine B;sulforodamine B;sulphorhodamine B
Monoisotopic Mass
558.149444g/mol
Rotatable Bond Count
7
XLogP3
2.2
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