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

Systemtic Name: 3',6'-bis(dioctadecylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-bis(dioctadecylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-bis(dioctadecylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-bis(dioctadecylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-bis(distearylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C92H158N2O3 MolecularWeight: 1340.25052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C92H158N2O3/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-67-77-93(78-68-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)83-73-75-87-89(81-83)96-90-82-84(74-76-88(90)92(87)86-72-66-65-71-85(86)91(95)97-92)94(79-69-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80-70-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h65-66,71-76,81-82H,5-64,67-70,77-80H2,1-4H3