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

Systemtic Name: hexadecyl 3-oxidanylidenespiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Openeye Name: hexadecyl 3-oxospiro[isobenzofuran-1,9'-xanthene]-3'-carboxylate CAS Name: 3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid hexadecyl ester IUPAC Name: hexadecyl 3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-carboxylate Traditional Name: 3-ketospiro[phthalan-1,9'-xanthene]-3'-carboxylic acid cetyl ester Formula: C37H44O5 MolecularWeight: 568.74226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-40-35(38)28-24-25-32-34(27-28)41-33-23-18-17-22-31(33)37(32)30-21-16-15-20-29(30)36(39)42-37/h15-18,20-25,27H,2-14,19,26H2,1H3