sodium 2-(6-oxidanyl-3-oxidanylidene-4,4a-dihydroxanthen-9-yl)benzoate

Systemtic Name: sodium 2-(6-oxidanyl-3-oxidanylidene-4,4a-dihydroxanthen-9-yl)benzoate Openeye Name: sodium 2-(6-hydroxy-3-oxo-4,4a-dihydroxanthen-9-yl)benzoate CAS Name: sodium 2-(6-hydroxy-3-oxo-4,4a-dihydroxanthen-9-yl)benzoate IUPAC Name: sodium 2-(6-hydroxy-3-oxo-4,4a-dihydroxanthen-9-yl)benzoate Traditional Name: sodium 2-(6-hydroxy-3-keto-4,4a-dihydroxanthen-9-yl)benzoate Formula: C20H13NaO5 MolecularWeight: 356.30399

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(=C(C3=C(O2)C=C(C=C3)O)C4=CC=CC=C4C(=O)[O-])C=CC1=O.[Na+]

Isomeric SMILES

C1C2C(=C(C3=C(O2)C=C(C=C3)O)C4=CC=CC=C4C(=O)[O-])C=CC1=O.[Na+]

InChI

InChI=1S/C20H14O5.Na/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-9,18,21H,10H2,(H,23,24);/q;+1/p-1