(2-heptan-2-ylsulfanylphenyl) ethanoate

Systemtic Name: (2-heptan-2-ylsulfanylphenyl) ethanoate Openeye Name: [2-(1-methylhexylsulfanyl)phenyl] acetate CAS Name: acetic acid [2-(heptan-2-ylthio)phenyl] ester IUPAC Name: (2-heptan-2-ylsulfanylphenyl) acetate Traditional Name: acetic acid [2-(1-methylhexylthio)phenyl] ester Formula: C15H22O2S MolecularWeight: 266.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)SC1=CC=CC=C1OC(=O)C

Isomeric SMILES

CCCCCC(C)SC1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C15H22O2S/c1-4-5-6-9-12(2)18-15-11-8-7-10-14(15)17-13(3)16/h7-8,10-12H,4-6,9H2,1-3H3