10142-57-1 Purity
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Specification
The molecular formula of Vat Red 31 is C30H16N4O5.
The molecular weight of Vat Red 31 is 512.5 g/mol.
The IUPAC name of Vat Red 31 is 1-amino-2-[5-(1-amino-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]anthracene-9,10-dione.
The Canonical SMILES representation of Vat Red 31 is C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)N)N.
The CAS number of Vat Red 31 is 52591-25-0.
Vat Red 31 has 2 hydrogen bond donor counts.
Vat Red 31 has 9 hydrogen bond acceptor counts.
The topological polar surface area of Vat Red 31 is 159 A^2.
Vat Red 31 contains 39 heavy atoms.
The complexity value of Vat Red 31 is 970.