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

Systemtic Name: 2-[3-(carboxymethyloxy)-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(carboxymethyloxy)-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(carboxymethyloxy)-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(carboxymethyloxy)-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-(carboxymethyloxy)-6-keto-xanthen-9-yl]benzoic acid Formula: C22H14O7 MolecularWeight: 390.34236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14O7/c23-12-5-7-16-18(9-12)29-19-10-13(28-11-20(24)25)6-8-17(19)21(16)14-3-1-2-4-15(14)22(26)27/h1-10H,11H2,(H,24,25)(H,26,27)