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

Systemtic Name: 3',6'-bis(dioctylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-bis(dioctylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-bis(dioctylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-bis(dioctylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-bis(dioctylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C52H78N2O3 MolecularWeight: 779.18732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CCCCCCCC)CCCCCCCC)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CCCCCCCC)CCCCCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C52H78N2O3/c1-5-9-13-17-21-27-37-53(38-28-22-18-14-10-6-2)43-33-35-47-49(41-43)56-50-42-44(34-36-48(50)52(47)46-32-26-25-31-45(46)51(55)57-52)54(39-29-23-19-15-11-7-3)40-30-24-20-16-12-8-4/h25-26,31-36,41-42H,5-24,27-30,37-40H2,1-4H3