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

Systemtic Name: 3',6'-dioctoxyspiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dioctoxyspiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dioctoxy-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dioctoxyspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dioctoxyspiro[phthalan-3,9'-xanthene]-1-one Formula: C36H44O5 MolecularWeight: 556.73156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OCCCCCCCC)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OCCCCCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C36H44O5/c1-3-5-7-9-11-15-23-38-27-19-21-31-33(25-27)40-34-26-28(39-24-16-12-10-8-6-4-2)20-22-32(34)36(31)30-18-14-13-17-29(30)35(37)41-36/h13-14,17-22,25-26H,3-12,15-16,23-24H2,1-2H3