(3-methoxy-4-oxidanyl-phenyl)methyl 7-methyloctanoate

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl 7-methyloctanoate Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl 7-methyloctanoate CAS Name: 7-methyloctanoic acid (4-hydroxy-3-methoxyphenyl)methyl ester IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl 7-methyloctanoate Traditional Name: 7-methylcaprylic acid vanillyl ester Formula: C17H26O4 MolecularWeight: 294.38594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CC(C)CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3