816-90-0 Purity
95%
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Specification
The molecular formula is C14H6Na2O8S2
Another name for it is Disodium anthraquinone-2,7-disulfonate.
The molecular weight is 412.3 g/mol.
The IUPAC name is disodium;9,10-dioxoanthracene-2,7-disulfonate.
The InChI is InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2.
The Canonical SMILES is C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-].[Na+].[Na+].
The CAS number is 853-67-8.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 8.
The topological polar surface area is 165?2.