3-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)propanoic acid

Systemtic Name: 3-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)propanoic acid Openeye Name: 3-(3-hydroxy-6-oxo-xanthen-9-yl)propanoic acid CAS Name: 3-(3-hydroxy-6-oxo-9-xanthenyl)propanoic acid IUPAC Name: 3-(3-hydroxy-6-oxoxanthen-9-yl)propanoic acid Traditional Name: 3-(3-hydroxy-6-keto-xanthen-9-yl)propionic acid Formula: C16H12O5 MolecularWeight: 284.26348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2CCC(=O)O

InChI

InChI=1S/C16H12O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,17H,5-6H2,(H,19,20)