2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-4a,9a-dihydroxanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-4a,9a-dihydroxanthen-9-yl]benzoic acid Openeye Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid CAS Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid IUPAC Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid Traditional Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-keto-4a,9a-dihydroxanthen-9-yl)benzoic acid Formula: C20H10Br4O5 MolecularWeight: 649.9064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4C2C=C(C(=C4Br)O)Br)Br)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4C2C=C(C(=C4Br)O)Br)Br)Br)C(=O)O

InChI

InChI=1S/C20H10Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,9,18,25H,(H,27,28)