3-(octan-2-yloxymethyl)benzoic acid

Systemtic Name: 3-(octan-2-yloxymethyl)benzoic acid Openeye Name: 3-(1-methylheptoxymethyl)benzoic acid CAS Name: 3-(octan-2-yloxymethyl)benzoic acid IUPAC Name: 3-(octan-2-yloxymethyl)benzoic acid Traditional Name: 3-(1-methylheptoxymethyl)benzoic acid Formula: C16H24O3 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCCCC(C)OCC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C16H24O3/c1-3-4-5-6-8-13(2)19-12-14-9-7-10-15(11-14)16(17)18/h7,9-11,13H,3-6,8,12H2,1-2H3,(H,17,18)