sodium 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: sodium 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: sodium 2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: sodium 2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: sodium 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: sodium 2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C20H12NaO5+ MolecularWeight: 355.29605

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H12O5.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;/h1-10,21H,(H,23,24);/q;+1