Structure

Sulforhodamine B sodium salt

CAS
3520-42-1
Catalog Number
ACM3520421
Category
Rhodamine Fluorophores
Molecular Weight
580.7g/mol
Molecular Formula
C27H29N2NaO7S2

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Specification

IUPAC Name
sodium;4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate
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-].[Na+]
InChI
InChI=1S/C27H30N2O7S2.Na/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);/q;+1/p-1
InChI Key
SXQCTESRRZBPHJ-UHFFFAOYSA-M
Complexity
1150
Covalently-Bonded Unit Count
2
EC Number
222-529-8
Exact Mass
580.131388g/mol
Formal Charge
0
H-Bond Acceptor
8
H-Bond Donor
0
Heavy Atom Count
39
Monoisotopic Mass
580.131388g/mol
Rotatable Bond Count
6
UNII
821LWZ3R6R
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