2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-keto-xanthen-9-yl)terephthalic acid Formula: C21H8Br4O7 MolecularWeight: 691.90002

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=C(C(=C(C=C24)Br)O)Br)Br)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br)C(=O)O

InChI

InChI=1S/C21H8Br4O7/c22-11-4-9-13(8-3-6(20(28)29)1-2-7(8)21(30)31)10-5-12(23)17(27)15(25)19(10)32-18(9)14(24)16(11)26/h1-5,26H,(H,28,29)(H,30,31)