methyl 2-(4-butoxyphenyl)-2-hexylsulfanyl-ethanoate

Systemtic Name: methyl 2-(4-butoxyphenyl)-2-hexylsulfanyl-ethanoate Openeye Name: methyl 2-(4-butoxyphenyl)-2-hexylsulfanyl-acetate CAS Name: 2-(4-butoxyphenyl)-2-(hexylthio)acetic acid methyl ester IUPAC Name: methyl 2-(4-butoxyphenyl)-2-hexylsulfanylacetate Traditional Name: 2-(4-butoxyphenyl)-2-(hexylthio)acetic acid methyl ester Formula: C19H30O3S MolecularWeight: 338.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3S/c1-4-6-8-9-15-23-18(19(20)21-3)16-10-12-17(13-11-16)22-14-7-5-2/h10-13,18H,4-9,14-15H2,1-3H3