1-butoxypropyl 4-(4-octoxyphenyl)benzoate

Systemtic Name: 1-butoxypropyl 4-(4-octoxyphenyl)benzoate Openeye Name: 1-butoxypropyl 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 1-butoxypropyl ester IUPAC Name: 1-butoxypropyl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid 1-butoxypropyl ester Formula: C28H40O4 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O4/c1-4-7-9-10-11-12-22-30-26-19-17-24(18-20-26)23-13-15-25(16-14-23)28(29)32-27(6-3)31-21-8-5-2/h13-20,27H,4-12,21-22H2,1-3H3