(E)-6-[2-(hydroxymethyl)-3-methoxy-phenyl]hex-2-enoic acid

Systemtic Name: (E)-6-[2-(hydroxymethyl)-3-methoxy-phenyl]hex-2-enoic acid Openeye Name: (E)-6-[2-(hydroxymethyl)-3-methoxy-phenyl]hex-2-enoic acid CAS Name: (E)-6-[2-(hydroxymethyl)-3-methoxyphenyl]-2-hexenoic acid IUPAC Name: (E)-6-[2-(hydroxymethyl)-3-methoxyphenyl]hex-2-enoic acid Traditional Name: (E)-6-(3-methoxy-2-methylol-phenyl)hex-2-enoic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CO)CCCC=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CO)CCC/C=C/C(=O)O

InChI

InChI=1S/C14H18O4/c1-18-13-8-5-7-11(12(13)10-15)6-3-2-4-9-14(16)17/h4-5,7-9,15H,2-3,6,10H2,1H3,(H,16,17)/b9-4+