3',6'-diacetyloxy-6,7-bis(chloranyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

Systemtic Name: 3',6'-diacetyloxy-6,7-bis(chloranyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-diacetoxy-6,7-dichloro-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-diacetyloxy-6,7-dichloro-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-diacetyloxy-6,7-dichloro-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-diacetoxy-6,7-dichloro-1-keto-spiro[phthalan-3,9'-xanthene]-5-carboxylic acid Formula: C25H14Cl2O9 MolecularWeight: 529.27926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C(=C(C(=C5)C(=O)O)Cl)Cl)C(=O)O3

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C(=C(C(=C5)C(=O)O)Cl)Cl)C(=O)O3

InChI

InChI=1S/C25H14Cl2O9/c1-10(28)33-12-3-5-15-18(7-12)35-19-8-13(34-11(2)29)4-6-16(19)25(15)17-9-14(23(30)31)21(26)22(27)20(17)24(32)36-25/h3-9H,1-2H3,(H,30,31)