hexyl 3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate

Systemtic Name: hexyl 3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Openeye Name: hexyl 3-oxospiro[isobenzofuran-1,9'-xanthene]-3'-carboxylate CAS Name: 3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid hexyl ester IUPAC Name: hexyl 3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Traditional Name: 3-ketospiro[phthalan-1,9'-xanthene]-3'-carboxylic acid hexyl ester Formula: C27H24O5 MolecularWeight: 428.47646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5O2

Isomeric SMILES

CCCCCCOC(=O)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=CC=CC=C5O2

InChI

InChI=1S/C27H24O5/c1-2-3-4-9-16-30-25(28)18-14-15-22-24(17-18)31-23-13-8-7-12-21(23)27(22)20-11-6-5-10-19(20)26(29)32-27/h5-8,10-15,17H,2-4,9,16H2,1H3