1-propoxypropan-2-yl 4-(4-octylphenyl)benzoate

Systemtic Name: 1-propoxypropan-2-yl 4-(4-octylphenyl)benzoate Openeye Name: (1-methyl-2-propoxy-ethyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid 1-propoxypropan-2-yl ester IUPAC Name: 1-propoxypropan-2-yl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (1-methyl-2-propoxy-ethyl) ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCC

InChI

InChI=1S/C27H38O3/c1-4-6-7-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)27(28)30-22(3)21-29-20-5-2/h12-19,22H,4-11,20-21H2,1-3H3