7-octylspiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 7-octylspiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-octylspiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 7-octyl-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-octylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-octylspiro[phthalan-3,9'-xanthene]-1-one Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC2=C1C(=O)OC23C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCCCCCCCC1=CC=CC2=C1C(=O)OC23C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H28O3/c1-2-3-4-5-6-7-13-20-14-12-17-23-26(20)27(29)31-28(23)21-15-8-10-18-24(21)30-25-19-11-9-16-22(25)28/h8-12,14-19H,2-7,13H2,1H3