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

Systemtic Name: 2-[3-(4-azanylphenoxy)-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(4-aminophenoxy)-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(4-aminophenoxy)-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(4-aminophenoxy)-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-(4-aminophenoxy)-6-keto-xanthen-9-yl]benzoic acid Formula: C26H17NO5 MolecularWeight: 423.41688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OC5=CC=C(C=C5)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OC5=CC=C(C=C5)N)C(=O)O

InChI

InChI=1S/C26H17NO5/c27-15-5-8-17(9-6-15)31-18-10-12-22-24(14-18)32-23-13-16(28)7-11-21(23)25(22)19-3-1-2-4-20(19)26(29)30/h1-14H,27H2,(H,29,30)