(6'-acetyloxy-4-isothiocyanato-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) ethanoate

Systemtic Name: (6'-acetyloxy-4-isothiocyanato-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) ethanoate Openeye Name: (6'-acetoxy-4-isothiocyanato-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) acetate CAS Name: acetic acid (6'-acetyloxy-4-isothiocyanato-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester IUPAC Name: (6'-acetyloxy-4-isothiocyanato-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate Traditional Name: acetic acid (6'-acetoxy-4-isothiocyanato-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C25H15NO7S MolecularWeight: 473.4541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C(=CC=C4)N=C=S)C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C(=CC=C4)N=C=S)C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C

InChI

InChI=1S/C25H15NO7S/c1-13(27)30-15-6-8-17-21(10-15)32-22-11-16(31-14(2)28)7-9-18(22)25(17)19-4-3-5-20(26-12-34)23(19)24(29)33-25/h3-11H,1-2H3