4',5'-bis(bromanyl)-2',7'-dimethyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 4',5'-bis(bromanyl)-2',7'-dimethyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethyl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethyl-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 4',5'-dibromo-3',6'-dihydroxy-2',7'-dimethyl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C22H14Br2O5 MolecularWeight: 518.15156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C(=C5O2)Br)O)C)Br)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C(=C5O2)Br)O)C)Br)O

InChI

InChI=1S/C22H14Br2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3