(6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) hexadecanoate

Systemtic Name: (6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) hexadecanoate Openeye Name: (6'-hydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) hexadecanoate CAS Name: hexadecanoic acid (6'-hydroxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester IUPAC Name: (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) hexadecanoate Traditional Name: palmitic acid (6'-hydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C36H42O6 MolecularWeight: 570.71508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)O)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)O)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C36H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34(38)40-27-21-23-31-33(25-27)41-32-24-26(37)20-22-30(32)36(31)29-18-16-15-17-28(29)35(39)42-36/h15-18,20-25,37H,2-14,19H2,1H3