methyl 2-(3,4-dimethoxyphenyl)-2-hexylsulfanyl-ethanoate

Systemtic Name: methyl 2-(3,4-dimethoxyphenyl)-2-hexylsulfanyl-ethanoate Openeye Name: methyl 2-(3,4-dimethoxyphenyl)-2-hexylsulfanyl-acetate CAS Name: 2-(3,4-dimethoxyphenyl)-2-(hexylthio)acetic acid methyl ester IUPAC Name: methyl 2-(3,4-dimethoxyphenyl)-2-hexylsulfanylacetate Traditional Name: 2-(3,4-dimethoxyphenyl)-2-(hexylthio)acetic acid methyl ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC(=C(C=C1)OC)OC)C(=O)OC

Isomeric SMILES

CCCCCCSC(C1=CC(=C(C=C1)OC)OC)C(=O)OC

InChI

InChI=1S/C17H26O4S/c1-5-6-7-8-11-22-16(17(18)21-4)13-9-10-14(19-2)15(12-13)20-3/h9-10,12,16H,5-8,11H2,1-4H3