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

Systemtic Name: 3',6'-bis(3-dotriacontoxypropylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-bis(3-dotriacontoxypropylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-bis(3-dotriacontoxypropylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-bis(3-dotriacontoxypropylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-bis(3-dotriacontoxypropylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C90H154N2O5 MolecularWeight: 1344.19616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCNC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)NCCCOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCCCNC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)NCCCOCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C90H154N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-63-75-94-77-65-73-91-81-69-71-85-87(79-81)96-88-80-82(70-72-86(88)90(85)84-68-62-61-67-83(84)89(93)97-90)92-74-66-78-95-76-64-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h61-62,67-72,79-80,91-92H,3-60,63-66,73-78H2,1-2H3