phenyl 2-pentan-2-yloxy-4-pentyl-benzoate

Systemtic Name: phenyl 2-pentan-2-yloxy-4-pentyl-benzoate Openeye Name: phenyl 2-(1-methylbutoxy)-4-pentyl-benzoate CAS Name: 2-pentan-2-yloxy-4-pentylbenzoic acid phenyl ester IUPAC Name: phenyl 2-pentan-2-yloxy-4-pentylbenzoate Traditional Name: 4-amyl-2-(1-methylbutoxy)benzoic acid phenyl ester Formula: C23H30O3 MolecularWeight: 354.4825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)OC(C)CCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)OC(C)CCC

InChI

InChI=1S/C23H30O3/c1-4-6-8-12-19-15-16-21(22(17-19)25-18(3)11-5-2)23(24)26-20-13-9-7-10-14-20/h7,9-10,13-18H,4-6,8,11-12H2,1-3H3