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3-(2-ethylhexoxycarbonyl)benzoic acid

3-(2-ethylhexoxycarbonyl)benzoic acid

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

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC=CC(=C1)C(=O)O


Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC=CC(=C1)C(=O)O


InChI

InChI=1S/C16H22O4/c1-3-5-7-12(4-2)11-20-16(19)14-9-6-8-13(10-14)15(17)18/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,17,18)


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