(2-oxidanylidenechromen-7-yl) 11-[2,3-bis[11-oxidanylidene-11-(2-oxidanylidenechromen-7-yl)oxy-undecoxy]propoxy]undecanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 11-[2,3-bis[11-oxidanylidene-11-(2-oxidanylidenechromen-7-yl)oxy-undecoxy]propoxy]undecanoate Openeye Name: (2-oxochromen-7-yl) 11-[2,3-bis[11-oxo-11-(2-oxochromen-7-yl)oxy-undecoxy]propoxy]undecanoate CAS Name: 11-[2,3-bis[11-oxo-11-[(2-oxo-1-benzopyran-7-yl)oxy]undecoxy]propoxy]undecanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 11-[2,3-bis[11-oxo-11-(2-oxochromen-7-yl)oxyundecoxy]propoxy]undecanoate Traditional Name: 11-[2,3-bis[11-keto-11-(2-ketochromen-7-yl)oxy-undecoxy]propoxy]undecanoic acid (2-ketochromen-7-yl) ester Formula: C63H80O15 MolecularWeight: 1077.3003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)CCCCCCCCCCOCC(COCCCCCCCCCCC(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)OCCCCCCCCCCC(=O)OC5=CC6=C(C=C5)C=CC(=O)O6

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OC(=O)CCCCCCCCCCOCC(COCCCCCCCCCCC(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)OCCCCCCCCCCC(=O)OC5=CC6=C(C=C5)C=CC(=O)O6

InChI

InChI=1S/C63H80O15/c64-58(73-51-34-28-48-31-37-61(67)76-55(48)43-51)25-19-13-7-1-4-10-16-22-40-70-46-54(72-42-24-18-12-6-3-9-15-21-27-60(66)75-53-36-30-50-33-39-63(69)78-57(50)45-53)47-71-41-23-17-11-5-2-8-14-20-26-59(65)74-52-35-29-49-32-38-62(68)77-56(49)44-52/h28-39,43-45,54H,1-27,40-42,46-47H2