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

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)methyl]octanoic acid Openeye Name: 2-[(4-hydroxy-3-methoxy-phenyl)methyl]octanoic acid CAS Name: 2-[(4-hydroxy-3-methoxyphenyl)methyl]octanoic acid IUPAC Name: 2-[(4-hydroxy-3-methoxyphenyl)methyl]octanoic acid Traditional Name: 2-vanillylcaprylic acid Formula: C16H24O4 MolecularWeight: 280.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CC(=C(C=C1)O)OC)C(=O)O

Isomeric SMILES

CCCCCCC(CC1=CC(=C(C=C1)O)OC)C(=O)O

InChI

InChI=1S/C16H24O4/c1-3-4-5-6-7-13(16(18)19)10-12-8-9-14(17)15(11-12)20-2/h8-9,11,13,17H,3-7,10H2,1-2H3,(H,18,19)