4-[(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxymethyl]benzoate

Systemtic Name: 4-[(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxymethyl]benzoate Openeye Name: 4-[(1-hydroxy-5-methyl-9-oxo-xanthen-3-yl)oxymethyl]benzoate CAS Name: 4-[(1-hydroxy-5-methyl-9-oxo-3-xanthenyl)oxymethyl]benzoate IUPAC Name: 4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoate Traditional Name: 4-[(1-hydroxy-9-keto-5-methyl-xanthen-3-yl)oxymethyl]benzoate Formula: C22H15O6- MolecularWeight: 375.3509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H16O6/c1-12-3-2-4-16-20(24)19-17(23)9-15(10-18(19)28-21(12)16)27-11-13-5-7-14(8-6-13)22(25)26/h2-10,23H,11H2,1H3,(H,25,26)/p-1