2-(4-tert-butylphenyl)-2-hexylsulfanyl-ethanoate

Systemtic Name: 2-(4-tert-butylphenyl)-2-hexylsulfanyl-ethanoate Openeye Name: 2-(4-tert-butylphenyl)-2-hexylsulfanyl-acetate CAS Name: 2-(4-tert-butylphenyl)-2-(hexylthio)acetate IUPAC Name: 2-(4-tert-butylphenyl)-2-hexylsulfanylacetate Traditional Name: 2-(4-tert-butylphenyl)-2-(hexylthio)acetate Formula: C18H27O2S- MolecularWeight: 307.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC=C(C=C1)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCSC(C1=CC=C(C=C1)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C18H28O2S/c1-5-6-7-8-13-21-16(17(19)20)14-9-11-15(12-10-14)18(2,3)4/h9-12,16H,5-8,13H2,1-4H3,(H,19,20)/p-1