sodium 9,10-bis(oxidanylidene)anthracene-2-sulfonate hydrate

Systemtic Name: sodium 9,10-bis(oxidanylidene)anthracene-2-sulfonate hydrate Openeye Name: sodium 9,10-dioxoanthracene-2-sulfonate hydrate CAS Name: sodium 9,10-dioxo-2-anthracenesulfonate hydrate IUPAC Name: sodium 9,10-dioxoanthracene-2-sulfonate hydrate Traditional Name: sodium 9,10-diketoanthracene-2-sulfonate hydrate Formula: C14H9NaO6S MolecularWeight: 328.27243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C14H8O5S.Na.H2O/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;;/h1-7H,(H,17,18,19);;1H2/q;+1;/p-1