2-(3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-4-yl)ethanesulfonic acid

Systemtic Name: 2-(3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-4-yl)ethanesulfonic acid Openeye Name: 2-(3-oxospiro[isobenzofuran-1,9'-xanthene]-4-yl)ethanesulfonic acid CAS Name: 2-(3-oxo-4-spiro[isobenzofuran-1,9'-xanthene]yl)ethanesulfonic acid IUPAC Name: 2-(3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)ethanesulfonic acid Traditional Name: 2-(3-ketospiro[phthalan-1,9'-xanthene]-4-yl)ethanesulfonic acid Formula: C22H16O6S MolecularWeight: 408.42384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3(C4=C(C(=CC=C4)CCS(=O)(=O)O)C(=O)O3)C5=CC=CC=C5O2

Isomeric SMILES

C1=CC=C2C(=C1)C3(C4=C(C(=CC=C4)CCS(=O)(=O)O)C(=O)O3)C5=CC=CC=C5O2

InChI

InChI=1S/C22H16O6S/c23-21-20-14(12-13-29(24,25)26)6-5-9-17(20)22(28-21)15-7-1-3-10-18(15)27-19-11-4-2-8-16(19)22/h1-11H,12-13H2,(H,24,25,26)