3-[4-(hydroxymethyl)-2-methoxy-phenyl]octanoic acid

Systemtic Name: 3-[4-(hydroxymethyl)-2-methoxy-phenyl]octanoic acid Openeye Name: 3-[4-(hydroxymethyl)-2-methoxy-phenyl]octanoic acid CAS Name: 3-[4-(hydroxymethyl)-2-methoxyphenyl]octanoic acid IUPAC Name: 3-[4-(hydroxymethyl)-2-methoxyphenyl]octanoic acid Traditional Name: 3-(2-methoxy-4-methylol-phenyl)caprylic acid Formula: C16H24O4 MolecularWeight: 280.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C1=C(C=C(C=C1)CO)OC

Isomeric SMILES

CCCCCC(CC(=O)O)C1=C(C=C(C=C1)CO)OC

InChI

InChI=1S/C16H24O4/c1-3-4-5-6-13(10-16(18)19)14-8-7-12(11-17)9-15(14)20-2/h7-9,13,17H,3-6,10-11H2,1-2H3,(H,18,19)