sodium 3-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate hydrate

Systemtic Name: sodium 3-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate hydrate Openeye Name: sodium 3-hydroxy-9,10-dioxo-anthracene-2-sulfonate hydrate CAS Name: sodium 3-hydroxy-9,10-dioxo-2-anthracenesulfonate hydrate IUPAC Name: sodium 3-hydroxy-9,10-dioxoanthracene-2-sulfonate hydrate Traditional Name: sodium 3-hydroxy-9,10-diketo-anthracene-2-sulfonate hydrate Formula: C14H9NaO7S MolecularWeight: 344.27183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)S(=O)(=O)[O-])O.O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)S(=O)(=O)[O-])O.O.[Na+]

InChI

InChI=1S/C14H8O6S.Na.H2O/c15-11-5-9-10(6-12(11)21(18,19)20)14(17)8-4-2-1-3-7(8)13(9)16;;/h1-6,15H,(H,18,19,20);;1H2/q;+1;/p-1