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

Systemtic Name: octadecyl 3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Openeye Name: octadecyl 3-oxospiro[isobenzofuran-1,9'-xanthene]-3'-carboxylate CAS Name: 3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid octadecyl ester IUPAC Name: octadecyl 3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Traditional Name: 3-ketospiro[phthalan-1,9'-xanthene]-3'-carboxylic acid stearyl ester Formula: C39H48O5 MolecularWeight: 596.79542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-42-37(40)30-26-27-34-36(29-30)43-35-25-20-19-24-33(35)39(34)32-23-18-17-22-31(32)38(41)44-39/h17-20,22-27,29H,2-16,21,28H2,1H3