2-(3-heptan-2-yl-2-methyl-phenyl)ethanethiol

Systemtic Name: 2-(3-heptan-2-yl-2-methyl-phenyl)ethanethiol Openeye Name: 2-[2-methyl-3-(1-methylhexyl)phenyl]ethanethiol CAS Name: 2-(3-heptan-2-yl-2-methylphenyl)ethanethiol IUPAC Name: 2-(3-heptan-2-yl-2-methylphenyl)ethanethiol Traditional Name: 2-[2-methyl-3-(1-methylhexyl)phenyl]ethanethiol Formula: C16H26S MolecularWeight: 250.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC(=C1C)CCS

Isomeric SMILES

CCCCCC(C)C1=CC=CC(=C1C)CCS

InChI

InChI=1S/C16H26S/c1-4-5-6-8-13(2)16-10-7-9-15(11-12-17)14(16)3/h7,9-10,13,17H,4-6,8,11-12H2,1-3H3