(3-pentylphenyl) 4-propylbenzoate

Systemtic Name: (3-pentylphenyl) 4-propylbenzoate Openeye Name: (3-pentylphenyl) 4-propylbenzoate CAS Name: 4-propylbenzoic acid (3-pentylphenyl) ester IUPAC Name: (3-pentylphenyl) 4-propylbenzoate Traditional Name: 4-propylbenzoic acid (3-amylphenyl) ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)CCC

Isomeric SMILES

CCCCCC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)CCC

InChI

InChI=1S/C21H26O2/c1-3-5-6-9-18-10-7-11-20(16-18)23-21(22)19-14-12-17(8-4-2)13-15-19/h7,10-16H,3-6,8-9H2,1-2H3