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

Systemtic Name: 5-methyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-methyl-benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-methylbenzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-methylbenzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-methyl-benzoic acid Formula: C21H14O5 MolecularWeight: 346.33286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C21H14O5/c1-11-2-5-14(17(8-11)21(24)25)20-15-6-3-12(22)9-18(15)26-19-10-13(23)4-7-16(19)20/h2-10,22H,1H3,(H,24,25)