2-(2-methyl-4-pentyl-phenoxy)ethanethiol

Systemtic Name: 2-(2-methyl-4-pentyl-phenoxy)ethanethiol Openeye Name: 2-(2-methyl-4-pentyl-phenoxy)ethanethiol CAS Name: 2-(2-methyl-4-pentylphenoxy)ethanethiol IUPAC Name: 2-(2-methyl-4-pentylphenoxy)ethanethiol Traditional Name: 2-(4-amyl-2-methyl-phenoxy)ethanethiol Formula: C14H22OS MolecularWeight: 238.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCS)C

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCS)C

InChI

InChI=1S/C14H22OS/c1-3-4-5-6-13-7-8-14(12(2)11-13)15-9-10-16/h7-8,11,16H,3-6,9-10H2,1-2H3