2-[3-(4-methylphenoxy)-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-(4-methylphenoxy)-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(4-methylphenoxy)-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(4-methylphenoxy)-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(4-methylphenoxy)-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-keto-6-(4-methylphenoxy)xanthen-9-yl]benzoic acid Formula: C27H18O5 MolecularWeight: 422.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H18O5/c1-16-6-9-18(10-7-16)31-19-11-13-23-25(15-19)32-24-14-17(28)8-12-22(24)26(23)20-4-2-3-5-21(20)27(29)30/h2-15H,1H3,(H,29,30)