3-oxidanyloctan-2-yl benzoate

Systemtic Name: 3-oxidanyloctan-2-yl benzoate Openeye Name: (2-hydroxy-1-methyl-heptyl) benzoate CAS Name: benzoic acid 3-hydroxyoctan-2-yl ester IUPAC Name: 3-hydroxyoctan-2-yl benzoate Traditional Name: benzoic acid (2-hydroxy-1-methyl-heptyl) ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)OC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCC(C(C)OC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C15H22O3/c1-3-4-6-11-14(16)12(2)18-15(17)13-9-7-5-8-10-13/h5,7-10,12,14,16H,3-4,6,11H2,1-2H3