96107-96-9 Purity
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Specification
The molecular formula of AMACID BLUE A is C37H37N2O7S2.
AMACID BLUE A was created on March 26, 2005, and last modified on December 30, 2023.
The IUPAC Name of AMACID BLUE A is benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(5-hydroxy-2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium.
The InChIKey of AMACID BLUE A is HKTCVYHTGCMMTJ-UHFFFAOYSA-O.
The Canonical SMILES of AMACID BLUE A is CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=CC(=C(C=C5S(=O)(=O)O)S(=O)(=O)O)O.
The CAS number for AMACID BLUE A is 3374-30-9.
The XLogP3-AA value for AMACID BLUE A is 6.2.
AMACID BLUE A has 3 hydrogen bond donor counts.
The exact mass of AMACID BLUE A is 685.20421887 g/mol.
Yes, AMACID BLUE A is considered a canonicalized compound.