ethyl 6-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)hexanoate

Systemtic Name: ethyl 6-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)hexanoate Openeye Name: ethyl 6-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)hexanoate CAS Name: 6-(6-acetyl-3-mercapto-2-propylphenoxy)hexanoic acid ethyl ester IUPAC Name: ethyl 6-(6-acetyl-2-propyl-3-sulfanylphenoxy)hexanoate Traditional Name: 6-(6-acetyl-3-mercapto-2-propyl-phenoxy)hexanoic acid ethyl ester Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCC(=O)OCC)C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCC(=O)OCC)C(=O)C)S

InChI

InChI=1S/C19H28O4S/c1-4-9-16-17(24)12-11-15(14(3)20)19(16)23-13-8-6-7-10-18(21)22-5-2/h11-12,24H,4-10,13H2,1-3H3