octan-2-yl 4-[[4-(4-octylphenyl)phenoxy]methyl]benzoate

Systemtic Name: octan-2-yl 4-[[4-(4-octylphenyl)phenoxy]methyl]benzoate Openeye Name: 1-methylheptyl 4-[[4-(4-octylphenyl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(4-octylphenyl)phenoxy]methyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[[4-(4-octylphenyl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(4-octylphenyl)phenoxy]methyl]benzoic acid 1-methylheptyl ester Formula: C36H48O3 MolecularWeight: 528.76452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C36H48O3/c1-4-6-8-10-11-13-15-30-16-20-32(21-17-30)33-24-26-35(27-25-33)38-28-31-18-22-34(23-19-31)36(37)39-29(3)14-12-9-7-5-2/h16-27,29H,4-15,28H2,1-3H3