7-[12-[2,3-bis[12-(2-oxidanylidenechromen-7-yl)oxydodecoxy]propoxy]dodecoxy]chromen-2-one

Systemtic Name: 7-[12-[2,3-bis[12-(2-oxidanylidenechromen-7-yl)oxydodecoxy]propoxy]dodecoxy]chromen-2-one Openeye Name: 7-[12-[2,3-bis[12-(2-oxochromen-7-yl)oxydodecoxy]propoxy]dodecoxy]chromen-2-one CAS Name: 7-[12-[2,3-bis[12-[(2-oxo-1-benzopyran-7-yl)oxy]dodecoxy]propoxy]dodecoxy]-1-benzopyran-2-one IUPAC Name: 7-[12-[2,3-bis[12-(2-oxochromen-7-yl)oxydodecoxy]propoxy]dodecoxy]chromen-2-one Traditional Name: 7-[12-[2,3-bis[12-(2-ketochromen-7-yl)oxydodecoxy]propoxy]dodecoxy]coumarin Formula: C66H92O12 MolecularWeight: 1077.42948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)OCCCCCCCCCCCCOCC(COCCCCCCCCCCCCOC3=CC4=C(C=C3)C=CC(=O)O4)OCCCCCCCCCCCCOC5=CC6=C(C=C5)C=CC(=O)O6

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OCCCCCCCCCCCCOCC(COCCCCCCCCCCCCOC3=CC4=C(C=C3)C=CC(=O)O4)OCCCCCCCCCCCCOC5=CC6=C(C=C5)C=CC(=O)O6

InChI

InChI=1S/C66H92O12/c67-64-40-34-54-31-37-57(49-61(54)76-64)72-45-27-21-15-9-3-1-7-13-19-25-43-70-52-60(75-48-30-24-18-12-6-5-11-17-23-29-47-74-59-39-33-56-36-42-66(69)78-63(56)51-59)53-71-44-26-20-14-8-2-4-10-16-22-28-46-73-58-38-32-55-35-41-65(68)77-62(55)50-58/h31-42,49-51,60H,1-30,43-48,52-53H2