CAS
94166-39-9 Purity
96%
94166-39-9 Purity
96%
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Hydrogen 1-(3-sulfonatopropyl)-2-[[1-(3-sulfonatopropyl)-1H-quinolin-2-ylidene]methyl]quinolinium,potassium salt
CAS
94166-46-8
Catalog Number
ACM94166468
Category
Other Products
Molecular Weight
552.704100 [g/mol]
Molecular Formula
C25H26N2O6S2K
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Specification
Synonyms
EINECS 303-341-6, 94166-46-8, Hydrogen 1-(3-sulphonatopropyl)-2-((1-(3-sulphonatopropyl)-1H-quinolin-2-ylidene)methyl)quinolinium, potassium salt
IUPAC Name
potassium 3-[(2Z)-2-[[1-(3-sulfonatopropyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]propane-1-sulfonate
Canonical SMILES
C1=CC=C2C(=C1)C=CC(=CC3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)O)N2CCCS(=O)(=O)[O-].[K+]
InChI Key
RCIVRERZMVXAKE-UHFFFAOYSA-M
EC Number
303-341-6
Exact Mass
552.07900
H-Bond Acceptor
7
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 134817708?
The IUPAC name of the compound is potassium;3-[(2E)-2-[[1-(3-sulfonatopropyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]propane-1-sulfonate.
What is the molecular formula of the compound?
The molecular formula of the compound is C25H25KN2O6S2.
What is the molecular weight of the compound?
The molecular weight of the compound is 552.7 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 138 Å2.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
Is the compound a covalently-bonded unit count of 2?
Yes, the compound has a covalently-bonded unit count of 2.
Does the compound have any defined atom stereocenter counts?
The compound does not have any defined atom stereocenter counts.
What is the formal charge of the compound?
The formal charge of the compound is 0.
How many heavy atom counts does the compound have?
The compound has 36 heavy atom counts.
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CAS
94166-50-4 Purity
96%
94166-50-4 Purity
96%
