phenyl 4-nonylbenzoate

Systemtic Name: phenyl 4-nonylbenzoate Openeye Name: phenyl 4-nonylbenzoate CAS Name: 4-nonylbenzoic acid phenyl ester IUPAC Name: phenyl 4-nonylbenzoate Traditional Name: 4-nonylbenzoic acid phenyl ester Formula: C22H28O2 MolecularWeight: 324.45652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H28O2/c1-2-3-4-5-6-7-9-12-19-15-17-20(18-16-19)22(23)24-21-13-10-8-11-14-21/h8,10-11,13-18H,2-7,9,12H2,1H3