2-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-(2,7-difluoro-3-hydroxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 2-(2,7-difluoro-3-hydroxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 2-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 2-(2,7-difluoro-3-hydroxy-6-keto-xanthen-9-yl)terephthalic acid Formula: C21H10F2O7 MolecularWeight: 412.296706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F)C(=O)O

InChI

InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)10-3-8(20(26)27)1-2-9(10)21(28)29/h1-7,24H,(H,26,27)(H,28,29)