1-[4-[[4-(4-heptylphenyl)phenyl]methoxy]phenoxy]propan-2-yl butanoate

Systemtic Name: 1-[4-[[4-(4-heptylphenyl)phenyl]methoxy]phenoxy]propan-2-yl butanoate Openeye Name: [2-[4-[[4-(4-heptylphenyl)phenyl]methoxy]phenoxy]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-[[4-(4-heptylphenyl)phenyl]methoxy]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[[4-(4-heptylphenyl)phenyl]methoxy]phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-[4-(4-heptylphenyl)benzyl]oxyphenoxy]-1-methyl-ethyl] ester Formula: C33H42O4 MolecularWeight: 502.68418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=C(C=C3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=C(C=C3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C33H42O4/c1-4-6-7-8-9-11-27-12-16-29(17-13-27)30-18-14-28(15-19-30)25-36-32-22-20-31(21-23-32)35-24-26(3)37-33(34)10-5-2/h12-23,26H,4-11,24-25H2,1-3H3