2-[(8aR,9S)-4,5-bis(bromanyl)-3-oxidanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl]benzoate

Systemtic Name: 2-[(8aR,9S)-4,5-bis(bromanyl)-3-oxidanyl-6-oxidanylidene-8a,9-dihydroxanthen-9-yl]benzoate Openeye Name: 2-[(8aR,9S)-4,5-dibromo-3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl]benzoate CAS Name: 2-[(8aR,9S)-4,5-dibromo-3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl]benzoate IUPAC Name: 2-[(8aR,9S)-4,5-dibromo-3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl]benzoate Traditional Name: 2-[(8aR,9S)-4,5-dibromo-3-hydroxy-6-keto-8a,9-dihydroxanthen-9-yl]benzoate Formula: C20H11Br2O5- MolecularWeight: 491.10634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[C@@H]2[C@H]3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br)C(=O)[O-]

InChI

InChI=1S/C20H12Br2O5/c21-16-13(23)7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22)19(12)27-18(11)16/h1-8,11,15,24H,(H,25,26)/p-1/t11-,15-/m1/s1