4-[2,7-bis(chloranyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]-3H-2-benzofuran-1-one

Systemtic Name: 4-[2,7-bis(chloranyl)-3,6-bis(oxidanyl)xanthen-10-ium-9-yl]-3H-2-benzofuran-1-one Openeye Name: 4-(2,7-dichloro-3,6-dihydroxy-xanthen-10-ium-9-yl)-3H-isobenzofuran-1-one CAS Name: 4-(2,7-dichloro-3,6-dihydroxy-9-xanthen-10-iumyl)-3H-isobenzofuran-1-one IUPAC Name: 4-(2,7-dichloro-3,6-dihydroxyxanthen-10-ium-9-yl)-3H-2-benzofuran-1-one Traditional Name: 4-(2,7-dichloro-3,6-dihydroxy-xanthen-10-ium-9-yl)phthalide Formula: C21H11Cl2O5+ MolecularWeight: 414.21504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2C(=O)O1)C3=C4C=C(C(=CC4=[O+]C5=CC(=C(C=C53)Cl)O)O)Cl

Isomeric SMILES

C1C2=C(C=CC=C2C(=O)O1)C3=C4C=C(C(=CC4=[O+]C5=CC(=C(C=C53)Cl)O)O)Cl

InChI

InChI=1S/C21H10Cl2O5/c22-14-4-11-18(6-16(14)24)28-19-7-17(25)15(23)5-12(19)20(11)9-2-1-3-10-13(9)8-27-21(10)26/h1-7H,8H2,(H-,24,25)/p+1