methyl 3-phenyl-3-propyl-octanoate

Systemtic Name: methyl 3-phenyl-3-propyl-octanoate Openeye Name: methyl 3-phenyl-3-propyl-octanoate CAS Name: 3-phenyl-3-propyloctanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-propyloctanoate Traditional Name: 3-phenyl-3-propyl-caprylic acid methyl ester Formula: C18H28O2 MolecularWeight: 276.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)(CC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CCCCCC(CCC)(CC(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C18H28O2/c1-4-6-10-14-18(13-5-2,15-17(19)20-3)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3