2-oxidanyl-3-phenethyl-hexanoic acid

Systemtic Name: 2-oxidanyl-3-phenethyl-hexanoic acid Openeye Name: 2-hydroxy-3-phenethyl-hexanoic acid CAS Name: 2-hydroxy-3-phenethylhexanoic acid IUPAC Name: 2-hydroxy-3-phenethylhexanoic acid Traditional Name: 2-hydroxy-3-phenethyl-hexanoic acid Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=CC=C1)C(C(=O)O)O

Isomeric SMILES

CCCC(CCC1=CC=CC=C1)C(C(=O)O)O

InChI

InChI=1S/C14H20O3/c1-2-6-12(13(15)14(16)17)10-9-11-7-4-3-5-8-11/h3-5,7-8,12-13,15H,2,6,9-10H2,1H3,(H,16,17)