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1-phenylpropyl 4-(4-octoxyphenyl)benzoate

1-phenylpropyl 4-(4-octoxyphenyl)benzoate

Systemtic Name:1-phenylpropyl 4-(4-octoxyphenyl)benzoate
Openeye Name:1-phenylpropyl 4-(4-octoxyphenyl)benzoate
CAS Name:4-(4-octoxyphenyl)benzoic acid 1-phenylpropyl ester
IUPAC Name:1-phenylpropyl 4-(4-octoxyphenyl)benzoate
Traditional Name:4-(4-octoxyphenyl)benzoic acid 1-phenylpropyl ester
Formula: C30H36O3
MolecularWeight: 444.60504
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(CC)C3=CC=CC=C3


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(CC)C3=CC=CC=C3


InChI

InChI=1S/C30H36O3/c1-3-5-6-7-8-12-23-32-28-21-19-25(20-22-28)24-15-17-27(18-16-24)30(31)33-29(4-2)26-13-10-9-11-14-26/h9-11,13-22,29H,3-8,12,23H2,1-2H3


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