3-methyl-4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 3-methyl-4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 4-(3-hydroxy-6-oxo-xanthen-9-yl)-3-methyl-benzoic acid CAS Name: 4-(3-hydroxy-6-oxo-9-xanthenyl)-3-methylbenzoic acid IUPAC Name: 4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylbenzoic acid Traditional Name: 4-(3-hydroxy-6-keto-xanthen-9-yl)-3-methyl-benzoic acid Formula: C21H14O5 MolecularWeight: 346.33286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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