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

Systemtic Name: 3-[4-(acetyloxymethyl)-2-methoxy-phenyl]octanoic acid Openeye Name: 3-[4-(acetoxymethyl)-2-methoxy-phenyl]octanoic acid CAS Name: 3-[4-(acetyloxymethyl)-2-methoxyphenyl]octanoic acid IUPAC Name: 3-[4-(acetyloxymethyl)-2-methoxyphenyl]octanoic acid Traditional Name: 3-[4-(acetoxymethyl)-2-methoxy-phenyl]caprylic acid Formula: C18H26O5 MolecularWeight: 322.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O5/c1-4-5-6-7-15(11-18(20)21)16-9-8-14(10-17(16)22-3)12-23-13(2)19/h8-10,15H,4-7,11-12H2,1-3H3,(H,20,21)