3-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]propanoic acid

Systemtic Name: 3-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]propanoic acid Openeye Name: 3-(3,6-dihydroxy-9H-xanthen-9-yl)propanoic acid CAS Name: 3-(3,6-dihydroxy-9H-xanthen-9-yl)propanoic acid IUPAC Name: 3-(3,6-dihydroxy-9H-xanthen-9-yl)propanoic acid Traditional Name: 3-(3,6-dihydroxy-9H-xanthen-9-yl)propionic acid Formula: C16H14O5 MolecularWeight: 286.27936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C2CCC(=O)O)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C2CCC(=O)O)C=CC(=C3)O

InChI

InChI=1S/C16H14O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,11,17-18H,5-6H2,(H,19,20)