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

Systemtic Name: 1-propoxypropan-2-yl 4-(4-octanoyloxyphenyl)benzoate Openeye Name: (1-methyl-2-propoxy-ethyl) 4-(4-octanoyloxyphenyl)benzoate CAS Name: 4-[4-(1-oxooctoxy)phenyl]benzoic acid 1-propoxypropan-2-yl ester IUPAC Name: 1-propoxypropan-2-yl 4-(4-octanoyloxyphenyl)benzoate Traditional Name: 4-(4-caprylyloxyphenyl)benzoic acid (1-methyl-2-propoxy-ethyl) ester Formula: C27H36O5 MolecularWeight: 440.57174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCC

InChI

InChI=1S/C27H36O5/c1-4-6-7-8-9-10-26(28)32-25-17-15-23(16-18-25)22-11-13-24(14-12-22)27(29)31-21(3)20-30-19-5-2/h11-18,21H,4-10,19-20H2,1-3H3