Dihydrogen-3-[methyl(2-sulfonatoethyl)amino]-6-[[2-[4-[[2-(sulfonatooxy)ethyl]sulfonyl]phenyl]ethyl]amino]-9-(2-sulp

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Catalog Number
ACM94109474
Product Name
Dihydrogen-3-[methyl(2-sulfonatoethyl)amino]-6-[[2-[4-[[2-(sulfonatooxy)ethyl]sulfonyl]phenyl]ethyl]amino]-9-(2-sulp
Structure
Structure
CAS
94109-47-4
Category
Heterocyclic Organic Compound
Synonyms
EINECS 302-488-3, 94109-47-4, Dihydrogen -3-(methyl(2-sulphonatoethyl)amino)-6-((2-(4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)ethyl)amino)-9-(2-sulphonatophenyl)xanthylium , sodium salt
IUPAC Name
disodium 2-[3-[methyl(2-sulfonatoethyl)azaniumylidene]-6-[2-[4-(2-sulfonatooxyethylsulfonyl)phenyl]ethylamino]xanthen-9-yl]benzenesulfonate
Molecular Weight
824.825740 [g/mol]
Molecular Formula
C32H30N2Na2O13S4
Canonical SMILES
C[N+](=C1C=CC2=C(C3=C(C=C(C=C3)NCCC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])OC2=C1)C5=CC=CC=C5S(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+]
InChI Key
AMGJJJLRDKKALG-UHFFFAOYSA-L
EC Number
302-488-3
Exact Mass
824.04300
H-Bond Acceptor
14
H-Bond Donor
1
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