(2Z)-6-(didodecylamino)-2-[6-(didodecylamino)-3-oxidanylidene-1-benzofuran-2-ylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-6-(didodecylamino)-2-[6-(didodecylamino)-3-oxidanylidene-1-benzofuran-2-ylidene]-1-benzofuran-3-one Openeye Name: (2Z)-6-(didodecylamino)-2-[6-(didodecylamino)-3-oxo-benzofuran-2-ylidene]benzofuran-3-one CAS Name: (2Z)-6-(didodecylamino)-2-[6-(didodecylamino)-3-oxo-2-benzofuranylidene]-3-benzofuranone IUPAC Name: (2Z)-6-(didodecylamino)-2-[6-(didodecylamino)-3-oxo-1-benzofuran-2-ylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-(dilaurylamino)-2-[6-(dilaurylamino)-3-keto-coumaran-2-ylidene]coumaran-3-one Formula: C64H106N2O4 MolecularWeight: 967.53744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC2=C(C=C1)C(=O)C(=C3C(=O)C4=C(O3)C=C(C=C4)N(CCCCCCCCCCCC)CCCCCCCCCCCC)O2

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C1=CC2=C(C=C1)C(=O)/C(=C/3\C(=O)C4=C(O3)C=C(C=C4)N(CCCCCCCCCCCC)CCCCCCCCCCCC)/O2

InChI

InChI=1S/C64H106N2O4/c1-5-9-13-17-21-25-29-33-37-41-49-65(50-42-38-34-30-26-22-18-14-10-6-2)55-45-47-57-59(53-55)69-63(61(57)67)64-62(68)58-48-46-56(54-60(58)70-64)66(51-43-39-35-31-27-23-19-15-11-7-3)52-44-40-36-32-28-24-20-16-12-8-4/h45-48,53-54H,5-44,49-52H2,1-4H3/b64-63-