3',6'-bis(diethylamino)-5-isothiocyanato-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 3',6'-bis(diethylamino)-5-isothiocyanato-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-bis(diethylamino)-5-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-bis(diethylamino)-5-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-bis(diethylamino)-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-bis(diethylamino)-5-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O3S/c1-5-31(6-2)20-10-13-23-26(16-20)34-27-17-21(32(7-3)8-4)11-14-24(27)29(23)25-15-19(30-18-36)9-12-22(25)28(33)35-29/h9-17H,5-8H2,1-4H3