ethyl 9-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)nonanoate

Systemtic Name: ethyl 9-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)nonanoate Openeye Name: ethyl 9-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)nonanoate CAS Name: 9-(6-acetyl-3-mercapto-2-propylphenoxy)nonanoic acid ethyl ester IUPAC Name: ethyl 9-(6-acetyl-2-propyl-3-sulfanylphenoxy)nonanoate Traditional Name: 9-(6-acetyl-3-mercapto-2-propyl-phenoxy)pelargonic acid ethyl ester Formula: C22H34O4S MolecularWeight: 394.56796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCCCCC(=O)OCC)C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCCCCC(=O)OCC)C(=O)C)S

InChI

InChI=1S/C22H34O4S/c1-4-12-19-20(27)15-14-18(17(3)23)22(19)26-16-11-9-7-6-8-10-13-21(24)25-5-2/h14-15,27H,4-13,16H2,1-3H3