4-(2,3,5-trimethylphenoxy)butane-1-thiol

Systemtic Name: 4-(2,3,5-trimethylphenoxy)butane-1-thiol Openeye Name: 4-(2,3,5-trimethylphenoxy)butane-1-thiol CAS Name: 4-(2,3,5-trimethylphenoxy)-1-butanethiol IUPAC Name: 4-(2,3,5-trimethylphenoxy)butane-1-thiol Traditional Name: 4-(2,3,5-trimethylphenoxy)butane-1-thiol Formula: C13H20OS MolecularWeight: 224.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCCS)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCCS)C)C

InChI

InChI=1S/C13H20OS/c1-10-8-11(2)12(3)13(9-10)14-6-4-5-7-15/h8-9,15H,4-7H2,1-3H3