phenyl 2-octylbenzoate

Systemtic Name: phenyl 2-octylbenzoate Openeye Name: phenyl 2-octylbenzoate CAS Name: 2-octylbenzoic acid phenyl ester IUPAC Name: phenyl 2-octylbenzoate Traditional Name: 2-octylbenzoic acid phenyl ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(=O)OC2=CC=CC=C2

InChI

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