disodium 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalate

Systemtic Name: disodium 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalate Openeye Name: disodium 2-(3-hydroxy-6-oxo-xanthen-9-yl)terephthalate CAS Name: disodium 2-(3-hydroxy-6-oxo-9-xanthenyl)terephthalate IUPAC Name: disodium 2-(3-hydroxy-6-oxoxanthen-9-yl)terephthalate Traditional Name: disodium 2-(3-hydroxy-6-keto-xanthen-9-yl)terephthalate Formula: C21H10Na2O7 MolecularWeight: 420.27944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H12O7.2Na/c22-11-2-5-14-17(8-11)28-18-9-12(23)3-6-15(18)19(14)16-7-10(20(24)25)1-4-13(16)21(26)27;;/h1-9,22H,(H,24,25)(H,26,27);;/q;2*+1/p-2