disodium 2-[2,7-bis(chloranyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: disodium 2-[2,7-bis(chloranyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: disodium 2-(2,7-dichloro-3-oxido-6-oxo-xanthen-9-yl)benzoate CAS Name: disodium 2-(2,7-dichloro-3-oxido-6-oxo-9-xanthenyl)benzoate IUPAC Name: disodium 2-(2,7-dichloro-3-oxido-6-oxoxanthen-9-yl)benzoate Traditional Name: disodium 2-(2,7-dichloro-3-keto-6-oxido-xanthen-9-yl)benzoate Formula: C20H8Cl2Na2O5 MolecularWeight: 445.16006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Cl)[O-])Cl)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Cl)[O-])Cl)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H10Cl2O5.2Na/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;/h1-8,23H,(H,25,26);;/q;2*+1/p-2