3-(1-butoxypropyl)-4-(4-octoxyphenyl)benzoate

Systemtic Name: 3-(1-butoxypropyl)-4-(4-octoxyphenyl)benzoate Openeye Name: 3-(1-butoxypropyl)-4-(4-octoxyphenyl)benzoate CAS Name: 3-(1-butoxypropyl)-4-(4-octoxyphenyl)benzoate IUPAC Name: 3-(1-butoxypropyl)-4-(4-octoxyphenyl)benzoate Traditional Name: 3-(1-butoxypropyl)-4-(4-octoxyphenyl)benzoate Formula: C28H39O4- MolecularWeight: 439.60686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C(CC)OCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C(CC)OCCCC

InChI

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