2-(3-ethylhexoxycarbonyl)benzoic acid

Systemtic Name: 2-(3-ethylhexoxycarbonyl)benzoic acid Openeye Name: 2-(3-ethylhexoxycarbonyl)benzoic acid CAS Name: 2-[3-ethylhexoxy(oxo)methyl]benzoic acid IUPAC Name: 2-(3-ethylhexoxycarbonyl)benzoic acid Traditional Name: 2-(3-ethylhexoxycarbonyl)benzoic acid Formula: C16H22O4 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CCOC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCC(CC)CCOC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H22O4/c1-3-7-12(4-2)10-11-20-16(19)14-9-6-5-8-13(14)15(17)18/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,18)