O-hexyl 3-(3,4-dimethoxyphenyl)propanethioate

Systemtic Name: O-hexyl 3-(3,4-dimethoxyphenyl)propanethioate Openeye Name: O-hexyl 3-(3,4-dimethoxyphenyl)propanethioate CAS Name: 3-(3,4-dimethoxyphenyl)propanethioic acid O-hexyl ester IUPAC Name: O-hexyl 3-(3,4-dimethoxyphenyl)propanethioate Traditional Name: 3-(3,4-dimethoxyphenyl)propanethioic acid O-hexyl ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=S)CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCCCOC(=S)CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H26O3S/c1-4-5-6-7-12-20-17(21)11-9-14-8-10-15(18-2)16(13-14)19-3/h8,10,13H,4-7,9,11-12H2,1-3H3