3',6'-dibutoxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 3',6'-dibutoxyspiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dibutoxyspiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dibutoxy-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dibutoxyspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dibutoxyspiro[phthalan-3,9'-xanthene]-1-one Formula: C28H28O5 MolecularWeight: 444.51892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OCCCC)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C28H28O5/c1-3-5-15-30-19-11-13-23-25(17-19)32-26-18-20(31-16-6-4-2)12-14-24(26)28(23)22-10-8-7-9-21(22)27(29)33-28/h7-14,17-18H,3-6,15-16H2,1-2H3