sodium 2-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoate

Systemtic Name: sodium 2-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]benzoate Openeye Name: sodium 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoate CAS Name: sodium 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoate IUPAC Name: sodium 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoate Traditional Name: sodium 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoate Formula: C20H13NaO5 MolecularWeight: 356.30399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C(=O)[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;/h1-10,19,21-22H,(H,23,24);/q;+1/p-1