ethyl 2-(3,5-ditert-butylphenyl)sulfanylheptanoate

Systemtic Name: ethyl 2-(3,5-ditert-butylphenyl)sulfanylheptanoate Openeye Name: ethyl 2-(3,5-ditert-butylphenyl)sulfanylheptanoate CAS Name: 2-[(3,5-ditert-butylphenyl)thio]heptanoic acid ethyl ester IUPAC Name: ethyl 2-(3,5-ditert-butylphenyl)sulfanylheptanoate Traditional Name: 2-[(3,5-ditert-butylphenyl)thio]enanthic acid ethyl ester Formula: C23H38O2S MolecularWeight: 378.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)OCC)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCC(C(=O)OCC)SC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C23H38O2S/c1-9-11-12-13-20(21(24)25-10-2)26-19-15-17(22(3,4)5)14-18(16-19)23(6,7)8/h14-16,20H,9-13H2,1-8H3