4-[(1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxymethyl]benzoate

Systemtic Name: 4-[(1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxymethyl]benzoate Openeye Name: 4-[(1-hydroxy-9-oxo-xanthen-3-yl)oxymethyl]benzoate CAS Name: 4-[(1-hydroxy-9-oxo-3-xanthenyl)oxymethyl]benzoate IUPAC Name: 4-[(1-hydroxy-9-oxoxanthen-3-yl)oxymethyl]benzoate Traditional Name: 4-[(1-hydroxy-9-keto-xanthen-3-yl)oxymethyl]benzoate Formula: C21H13O6- MolecularWeight: 361.32432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CC=C(C=C4)C(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CC=C(C=C4)C(=O)[O-])O

InChI

InChI=1S/C21H14O6/c22-16-9-14(26-11-12-5-7-13(8-6-12)21(24)25)10-18-19(16)20(23)15-3-1-2-4-17(15)27-18/h1-10,22H,11H2,(H,24,25)/p-1