2-[3-(carboxymethyloxy)-4-hexyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyloxy)-4-hexyl-phenoxy]ethanoic acid Openeye Name: 2-[3-(carboxymethyloxy)-4-hexyl-phenoxy]acetic acid CAS Name: 2-[3-(carboxymethyloxy)-4-hexylphenoxy]acetic acid IUPAC Name: 2-[3-(carboxymethyloxy)-4-hexylphenoxy]acetic acid Traditional Name: 2-[3-(carboxymethyloxy)-4-hexyl-phenoxy]acetic acid Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OCC(=O)O)OCC(=O)O

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C16H22O6/c1-2-3-4-5-6-12-7-8-13(21-10-15(17)18)9-14(12)22-11-16(19)20/h7-9H,2-6,10-11H2,1H3,(H,17,18)(H,19,20)