CAS
97659-24-0 Purity
96%
97659-24-0 Purity
96%
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Specification
The molecular formula is C36H30CaN4O10S2.
The molecular weight is 782.9 g/mol.
The IUPAC name is calcium;5-ethoxy-2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate.
The InChIKey is ALLWFKRZIBOODB-UHFFFAOYSA-L.
It has 2 hydrogen bond donor counts.
It has 14 hydrogen bond acceptor counts.
The exact mass is 782.1029264 g/mol.
It has 8 rotatable bond counts.
The topological polar surface area is 240 Å2.
Yes, the compound is canonicalized.