(2-octylphenyl) 4-(1-pentoxyethyl)benzoate

Systemtic Name: (2-octylphenyl) 4-(1-pentoxyethyl)benzoate Openeye Name: (2-octylphenyl) 4-(1-pentoxyethyl)benzoate CAS Name: 4-(1-pentoxyethyl)benzoic acid (2-octylphenyl) ester IUPAC Name: (2-octylphenyl) 4-(1-pentoxyethyl)benzoate Traditional Name: 4-(1-amoxyethyl)benzoic acid (2-octylphenyl) ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C(C)OCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C(C)OCCCCC

InChI

InChI=1S/C28H40O3/c1-4-6-8-9-10-11-15-25-16-12-13-17-27(25)31-28(29)26-20-18-24(19-21-26)23(3)30-22-14-7-5-2/h12-13,16-21,23H,4-11,14-15,22H2,1-3H3