CAS
54449-42-2 Purity
96%
54449-42-2 Purity
96%
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3-Carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium
CAS
54451-30-8
Catalog Number
ACM54451308
Category
Other Products
Molecular Weight
611.037 g/mol
Molecular Formula
C28H35ClN2O11
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Specification
IUPAC Name
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-[2-[2-(4-chlorophenoxy)propanoylamino]benzoyl]oxyethyl-diethylazanium
Canonical SMILES
CC[NH+](CC)CCOC(=O)C1=CC=CC=C1NC(=O)C(C)OC2=CC=C(C=C2)Cl.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O
InChI Key
WPYHDISDADHQHB-UHFFFAOYSA-N
Exact Mass
610.19300
H-Bond Acceptor
11
H-Bond Donor
5
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