sodium 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate hydrate

Systemtic Name: sodium 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate hydrate Openeye Name: sodium 3,4-dihydroxy-9,10-dioxo-anthracene-2-sulfonate hydrate CAS Name: sodium 3,4-dihydroxy-9,10-dioxo-2-anthracenesulfonate hydrate IUPAC Name: sodium 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate hydrate Traditional Name: sodium 3,4-dihydroxy-9,10-diketo-anthracene-2-sulfonate hydrate Formula: C14H9NaO8S MolecularWeight: 360.27123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8O7S.Na.H2O/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;;/h1-5,17-18H,(H,19,20,21);;1H2/q;+1;/p-1