3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]propanoic acid

Systemtic Name: 3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]propanoic acid Openeye Name: 3-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)propanoic acid CAS Name: 3-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)propanoic acid IUPAC Name: 3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)propanoic acid Traditional Name: 3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic acid Formula: C16H12O7 MolecularWeight: 316.26228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)CCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)CCC(=O)O)O)O

InChI

InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)