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

Systemtic Name: 3',6'-bis(octadecylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-bis(octadecylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-bis(octadecylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-bis(octadecylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-bis(stearylamino)spiro[phthalan-3,9'-xanthene]-1-one Formula: C56H86N2O3 MolecularWeight: 835.29364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)NCCCCCCCCCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)NCCCCCCCCCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C56H86N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43-57-47-39-41-51-53(45-47)60-54-46-48(40-42-52(54)56(51)50-38-34-33-37-49(50)55(59)61-56)58-44-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-42,45-46,57-58H,3-32,35-36,43-44H2,1-2H3