disodium 2-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)benzoate dihydrate

Systemtic Name: disodium 2-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)benzoate dihydrate Openeye Name: disodium 2-(3-oxido-6-oxo-xanthen-9-yl)benzoate dihydrate CAS Name: disodium 2-(3-oxido-6-oxo-9-xanthenyl)benzoate dihydrate IUPAC Name: disodium 2-(3-oxido-6-oxoxanthen-9-yl)benzoate dihydrate Traditional Name: disodium 2-(3-keto-6-oxido-xanthen-9-yl)benzoate dihydrate Formula: C20H14Na2O7 MolecularWeight: 412.3005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)[O-])C(=O)[O-].O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)[O-])C(=O)[O-].O.O.[Na+].[Na+]

InChI

InChI=1S/C20H12O5.2Na.2H2O/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;;;;/h1-10,21H,(H,23,24);;;2*1H2/q;2*+1;;/p-2