octyl 4-[2,4,5-tris(4-octoxycarbonylphenyl)phenyl]benzoate

Systemtic Name: octyl 4-[2,4,5-tris(4-octoxycarbonylphenyl)phenyl]benzoate Openeye Name: octyl 4-[2,4,5-tris(4-octoxycarbonylphenyl)phenyl]benzoate CAS Name: 4-[2,4,5-tris[4-[octoxy(oxo)methyl]phenyl]phenyl]benzoic acid octyl ester IUPAC Name: octyl 4-[2,4,5-tris(4-octoxycarbonylphenyl)phenyl]benzoate Traditional Name: 4-[2,4,5-tris(4-octoxycarbonylphenyl)phenyl]benzoic acid octyl ester Formula: C66H86O8 MolecularWeight: 1007.38424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2C3=CC=C(C=C3)C(=O)OCCCCCCCC)C4=CC=C(C=C4)C(=O)OCCCCCCCC)C5=CC=C(C=C5)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2C3=CC=C(C=C3)C(=O)OCCCCCCCC)C4=CC=C(C=C4)C(=O)OCCCCCCCC)C5=CC=C(C=C5)C(=O)OCCCCCCCC

InChI

InChI=1S/C66H86O8/c1-5-9-13-17-21-25-45-71-63(67)55-37-29-51(30-38-55)59-49-61(53-33-41-57(42-34-53)65(69)73-47-27-23-19-15-11-7-3)62(54-35-43-58(44-36-54)66(70)74-48-28-24-20-16-12-8-4)50-60(59)52-31-39-56(40-32-52)64(68)72-46-26-22-18-14-10-6-2/h29-44,49-50H,5-28,45-48H2,1-4H3