2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)propanoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)propanoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)propanoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)propanoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)propanoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)propionic acid Formula: C16H12O5 MolecularWeight: 284.26348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C=CC(=O)C=C2OC3=C1C=CC(=C3)O)C(=O)O

Isomeric SMILES

CC(C1=C2C=CC(=O)C=C2OC3=C1C=CC(=C3)O)C(=O)O

InChI

InChI=1S/C16H12O5/c1-8(16(19)20)15-11-4-2-9(17)6-13(11)21-14-7-10(18)3-5-12(14)15/h2-8,17H,1H3,(H,19,20)