(2-hexylphenyl) 4-(1-heptoxyethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCCCCC

Isomeric SMILES

CCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCCCCC

InChI

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