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

Systemtic Name: 6-methylheptyl 3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Openeye Name: 6-methylheptyl 3-oxospiro[isobenzofuran-1,9'-xanthene]-3'-carboxylate CAS Name: 3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Traditional Name: 3-ketospiro[phthalan-1,9'-xanthene]-3'-carboxylic acid 6-methylheptyl ester Formula: C29H28O5 MolecularWeight: 456.52962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28O5/c1-19(2)10-4-3-9-17-32-27(30)20-15-16-24-26(18-20)33-25-14-8-7-13-23(25)29(24)22-12-6-5-11-21(22)28(31)34-29/h5-8,11-16,18-19H,3-4,9-10,17H2,1-2H3